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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/HER2-e4bcfd21/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HER2-e4bcfd21/inputs/seq.fa: 1
curr_seq: _AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCCGCGAGGGGAGGGAUAGGGUAGGGCGCGGCU
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -129.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.173946 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -202.887879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.887879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.887879 (E_RNA)
where:
Base-Base interactions energy: -91.527
where: short stacking energy: -90.195
Base-Backbone interact. energy: -0.078
local terms energy: -111.282863
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -198.832658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.832658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832658 (E_RNA)
where:
Base-Base interactions energy: -81.309
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.110
local terms energy: -117.413753
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -27.914
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -192.708762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708762 (E_RNA)
where:
Base-Base interactions energy: -100.059
where: short stacking energy: -100.059
Base-Backbone interact. energy: -0.030
local terms energy: -92.619711
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -197.143266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.143266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.143266 (E_RNA)
where:
Base-Base interactions energy: -90.144
where: short stacking energy: -89.725
Base-Backbone interact. energy: -0.356
local terms energy: -106.642940
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -203.461857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.461857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.461857 (E_RNA)
where:
Base-Base interactions energy: -93.731
where: short stacking energy: -92.578
Base-Backbone interact. energy: -0.099
local terms energy: -109.631849
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -190.807009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.807009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.807009 (E_RNA)
where:
Base-Base interactions energy: -107.751
where: short stacking energy: -84.237
Base-Backbone interact. energy: -2.723
local terms energy: -80.332763
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -143.028464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.028464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.028464 (E_RNA)
where:
Base-Base interactions energy: -59.938
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.261
local terms energy: -82.828535
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -4.548
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -157.380768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.380768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.380768 (E_RNA)
where:
Base-Base interactions energy: -68.804
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.041
local terms energy: -88.535965
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -13.148
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -129.541066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.541066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.541066 (E_RNA)
where:
Base-Base interactions energy: -48.927
where: short stacking energy: -44.787
Base-Backbone interact. energy: 0.216
local terms energy: -80.829795
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -128.600692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.600692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.600692 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -2.991
Base-Backbone interact. energy: -0.000
local terms energy: -125.610028
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -8.485
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -209.319080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.319080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.319080 (E_RNA)
where:
Base-Base interactions energy: -101.909
where: short stacking energy: -101.909
Base-Backbone interact. energy: -0.086
local terms energy: -107.324220
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -21.870
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -237.110683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.110683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.110683 (E_RNA)
where:
Base-Base interactions energy: -142.350
where: short stacking energy: -83.670
Base-Backbone interact. energy: -0.298
local terms energy: -94.462655
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -14.299
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -224.994534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.994534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.994534 (E_RNA)
where:
Base-Base interactions energy: -120.447
where: short stacking energy: -78.816
Base-Backbone interact. energy: -0.581
local terms energy: -103.967056
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -202.474490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.474490 (E_RNA)
where:
Base-Base interactions energy: -96.801
where: short stacking energy: -96.801
Base-Backbone interact. energy: -0.175
local terms energy: -105.498416
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -182.100874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.100874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.100874 (E_RNA)
where:
Base-Base interactions energy: -90.487
where: short stacking energy: -89.554
Base-Backbone interact. energy: -0.874
local terms energy: -90.740103
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -227.568513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.568513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.568513 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.146
local terms energy: -101.101013
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -182.214584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.214584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.214584 (E_RNA)
where:
Base-Base interactions energy: -89.795
where: short stacking energy: -72.447
Base-Backbone interact. energy: -0.337
local terms energy: -92.082555
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -138.781587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.781587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.781587 (E_RNA)
where:
Base-Base interactions energy: -59.617
where: short stacking energy: -51.901
Base-Backbone interact. energy: -1.017
local terms energy: -78.147723
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -142.514565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.514565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.514565 (E_RNA)
where:
Base-Base interactions energy: -74.658
where: short stacking energy: -64.160
Base-Backbone interact. energy: -0.330
local terms energy: -67.525922
where:
bonds (distance) C4'-P energy: -7.202
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -118.628259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.628259 (E_RNA)
where:
Base-Base interactions energy: -49.151
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.315
local terms energy: -69.162763
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -6.581
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -283.600707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.600707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.600707 (E_RNA)
where:
Base-Base interactions energy: -176.075
where: short stacking energy: -96.703
Base-Backbone interact. energy: 0.401
local terms energy: -107.927663
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -228.115421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.115421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.115421 (E_RNA)
where:
Base-Base interactions energy: -122.072
where: short stacking energy: -107.431
Base-Backbone interact. energy: -0.903
local terms energy: -105.140452
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -260.675619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.675619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.675619 (E_RNA)
where:
Base-Base interactions energy: -152.434
where: short stacking energy: -89.273
Base-Backbone interact. energy: -0.516
local terms energy: -107.725523
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -202.651234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.651234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.651234 (E_RNA)
where:
Base-Base interactions energy: -90.348
where: short stacking energy: -90.348
Base-Backbone interact. energy: -0.170
local terms energy: -112.132851
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -247.271455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.271455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.271455 (E_RNA)
where:
Base-Base interactions energy: -157.647
where: short stacking energy: -81.514
Base-Backbone interact. energy: -0.854
local terms energy: -88.770850
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -10.987
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -169.529333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.529333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.529333 (E_RNA)
where:
Base-Base interactions energy: -100.870
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.228
local terms energy: -68.431764
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -7.791
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -161.039592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.039592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.039592 (E_RNA)
where:
Base-Base interactions energy: -70.091
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.584
local terms energy: -90.364657
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -178.005556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.005556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.005556 (E_RNA)
where:
Base-Base interactions energy: -87.540
where: short stacking energy: -62.588
Base-Backbone interact. energy: 0.535
local terms energy: -91.000325
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -12.119
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -128.725696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.725696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.725696 (E_RNA)
where:
Base-Base interactions energy: -55.348
where: short stacking energy: -42.902
Base-Backbone interact. energy: 1.626
local terms energy: -75.003761
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -148.824728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.824728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.824728 (E_RNA)
where:
Base-Base interactions energy: -80.029
where: short stacking energy: -45.523
Base-Backbone interact. energy: -0.541
local terms energy: -68.254938
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -281.054501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.054501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.054501 (E_RNA)
where:
Base-Base interactions energy: -163.760
where: short stacking energy: -98.900
Base-Backbone interact. energy: -0.659
local terms energy: -116.635209
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -288.385582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.385582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.385582 (E_RNA)
where:
Base-Base interactions energy: -183.523
where: short stacking energy: -96.192
Base-Backbone interact. energy: -1.111
local terms energy: -103.752043
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -25.933
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -213.043809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.043809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.043809 (E_RNA)
where:
Base-Base interactions energy: -115.410
where: short stacking energy: -84.187
Base-Backbone interact. energy: -0.166
local terms energy: -97.467710
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -263.457711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.457711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.457711 (E_RNA)
where:
Base-Base interactions energy: -161.372
where: short stacking energy: -95.880
Base-Backbone interact. energy: 0.537
local terms energy: -102.622718
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -177.333539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.333539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.333539 (E_RNA)
where:
Base-Base interactions energy: -86.088
where: short stacking energy: -74.749
Base-Backbone interact. energy: -0.798
local terms energy: -90.447127
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -15.198
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -187.256045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.256045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.256045 (E_RNA)
where:
Base-Base interactions energy: -92.896
where: short stacking energy: -92.031
Base-Backbone interact. energy: -0.068
local terms energy: -94.291450
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -163.165261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.165261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.165261 (E_RNA)
where:
Base-Base interactions energy: -87.089
where: short stacking energy: -62.748
Base-Backbone interact. energy: -0.350
local terms energy: -75.726253
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -144.146021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.146021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.146021 (E_RNA)
where:
Base-Base interactions energy: -59.236
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.692
local terms energy: -84.217942
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -123.126451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.126451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.126451 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -47.414
Base-Backbone interact. energy: 0.861
local terms energy: -72.346286
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -147.956145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.956145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.956145 (E_RNA)
where:
Base-Base interactions energy: -80.266
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.390
local terms energy: -67.300073
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -297.096771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.096771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.096771 (E_RNA)
where:
Base-Base interactions energy: -190.602
where: short stacking energy: -100.111
Base-Backbone interact. energy: -0.054
local terms energy: -106.440624
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -267.782354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.782354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.782354 (E_RNA)
where:
Base-Base interactions energy: -160.175
where: short stacking energy: -100.558
Base-Backbone interact. energy: 0.490
local terms energy: -108.097463
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -283.823745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.823745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.823745 (E_RNA)
where:
Base-Base interactions energy: -169.602
where: short stacking energy: -104.088
Base-Backbone interact. energy: 0.032
local terms energy: -114.253574
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -25.142
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -200.764319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.764319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.764319 (E_RNA)
where:
Base-Base interactions energy: -106.892
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.500
local terms energy: -93.372883
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -196.048720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048720 (E_RNA)
where:
Base-Base interactions energy: -93.681
where: short stacking energy: -74.100
Base-Backbone interact. energy: -0.165
local terms energy: -102.202707
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -166.515472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.515472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.515472 (E_RNA)
where:
Base-Base interactions energy: -72.480
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.313
local terms energy: -93.722609
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -11.011
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -172.975593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.975593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.975593 (E_RNA)
where:
Base-Base interactions energy: -79.175
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.146
local terms energy: -93.655026
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -16.485
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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -139.019898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.019898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.019898 (E_RNA)
where:
Base-Base interactions energy: -62.242
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.859
local terms energy: -75.919254
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -6.097
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -122.039778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.039778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.039778 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -37.855
Base-Backbone interact. energy: 1.920
local terms energy: -84.349363
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -119.274580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274580 (E_RNA)
where:
Base-Base interactions energy: -57.093
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.360
local terms energy: -61.821403
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: 0.651
tors. eta vs tors. theta energy: -4.258
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: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -296.731715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.731715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.731715 (E_RNA)
where:
Base-Base interactions energy: -199.668
where: short stacking energy: -103.166
Base-Backbone interact. energy: -0.599
local terms energy: -96.465215
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -284.683807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.683807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.683807 (E_RNA)
where:
Base-Base interactions energy: -174.483
where: short stacking energy: -92.242
Base-Backbone interact. energy: 3.156
local terms energy: -113.356712
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -263.733231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.733231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.733231 (E_RNA)
where:
Base-Base interactions energy: -161.114
where: short stacking energy: -96.995
Base-Backbone interact. energy: -0.763
local terms energy: -101.855700
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -205.209022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.209022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.209022 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -86.254
Base-Backbone interact. energy: -0.727
local terms energy: -82.094083
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -203.469987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.469987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.469987 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.053
local terms energy: -94.889112
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -166.255398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.255398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.255398 (E_RNA)
where:
Base-Base interactions energy: -87.540
where: short stacking energy: -68.181
Base-Backbone interact. energy: -0.637
local terms energy: -78.079134
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -9.382
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: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -170.482636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.482636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.482636 (E_RNA)
where:
Base-Base interactions energy: -88.713
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.025
local terms energy: -81.744922
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -127.909417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.909417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.909417 (E_RNA)
where:
Base-Base interactions energy: -49.619
where: short stacking energy: -49.619
Base-Backbone interact. energy: -0.343
local terms energy: -77.947697
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -162.905311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.905311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.905311 (E_RNA)
where:
Base-Base interactions energy: -79.112
where: short stacking energy: -44.410
Base-Backbone interact. energy: -1.531
local terms energy: -82.262170
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -122.111671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.111671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.111671 (E_RNA)
where:
Base-Base interactions energy: -46.721
where: short stacking energy: -46.721
Base-Backbone interact. energy: 0.704
local terms energy: -76.094264
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -285.344925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.344925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.344925 (E_RNA)
where:
Base-Base interactions energy: -175.922
where: short stacking energy: -93.558
Base-Backbone interact. energy: -0.455
local terms energy: -108.967778
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -265.364733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.364733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.364733 (E_RNA)
where:
Base-Base interactions energy: -162.490
where: short stacking energy: -81.517
Base-Backbone interact. energy: -0.899
local terms energy: -101.976386
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -262.371014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.371014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.371014 (E_RNA)
where:
Base-Base interactions energy: -149.495
where: short stacking energy: -90.597
Base-Backbone interact. energy: -0.019
local terms energy: -112.857357
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -231.673561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.673561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.673561 (E_RNA)
where:
Base-Base interactions energy: -135.176
where: short stacking energy: -85.114
Base-Backbone interact. energy: 0.685
local terms energy: -97.182115
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -221.631296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.631296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.631296 (E_RNA)
where:
Base-Base interactions energy: -120.057
where: short stacking energy: -95.144
Base-Backbone interact. energy: -0.135
local terms energy: -101.439043
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -24.863
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: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -162.290042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.290042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.290042 (E_RNA)
where:
Base-Base interactions energy: -82.127
where: short stacking energy: -61.964
Base-Backbone interact. energy: 1.622
local terms energy: -81.785449
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -4.853
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -149.410985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.410985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.410985 (E_RNA)
where:
Base-Base interactions energy: -66.073
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.239
local terms energy: -83.098968
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -138.720971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.720971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.720971 (E_RNA)
where:
Base-Base interactions energy: -62.706
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.194
local terms energy: -75.820371
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -3.792
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: 9, replica: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -183.633488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.633488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.633488 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -61.313
Base-Backbone interact. energy: 2.899
local terms energy: -79.203562
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -14.328
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: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -130.751203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.751203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.751203 (E_RNA)
where:
Base-Base interactions energy: -47.829
where: short stacking energy: -47.277
Base-Backbone interact. energy: 0.534
local terms energy: -83.456091
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -11.649
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -285.750203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.750203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.750203 (E_RNA)
where:
Base-Base interactions energy: -175.361
where: short stacking energy: -106.737
Base-Backbone interact. energy: -0.067
local terms energy: -110.322622
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -277.820355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.820355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.820355 (E_RNA)
where:
Base-Base interactions energy: -176.169
where: short stacking energy: -92.013
Base-Backbone interact. energy: -1.139
local terms energy: -100.512335
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -15.045
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: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -246.824723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.824723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.824723 (E_RNA)
where:
Base-Base interactions energy: -147.477
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.126
local terms energy: -99.221298
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -238.116853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.116853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.116853 (E_RNA)
where:
Base-Base interactions energy: -139.473
where: short stacking energy: -93.909
Base-Backbone interact. energy: -0.412
local terms energy: -98.231308
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -228.556838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556838 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -79.800
Base-Backbone interact. energy: -0.580
local terms energy: -90.531632
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -196.087852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.087852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.087852 (E_RNA)
where:
Base-Base interactions energy: -109.360
where: short stacking energy: -55.837
Base-Backbone interact. energy: 0.630
local terms energy: -87.357357
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -187.625382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.625382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.625382 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.233
local terms energy: -93.357043
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -155.226938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.226938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.226938 (E_RNA)
where:
Base-Base interactions energy: -87.983
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.373
local terms energy: -66.870277
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -166.974268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.974268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.974268 (E_RNA)
where:
Base-Base interactions energy: -90.788
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.643
local terms energy: -75.542787
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -123.307279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.307279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.307279 (E_RNA)
where:
Base-Base interactions energy: -50.744
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.235
local terms energy: -72.327873
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -294.884778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.884778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.884778 (E_RNA)
where:
Base-Base interactions energy: -179.246
where: short stacking energy: -98.140
Base-Backbone interact. energy: -3.783
local terms energy: -111.855534
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -22.584
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -267.175130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.175130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.175130 (E_RNA)
where:
Base-Base interactions energy: -164.065
where: short stacking energy: -94.529
Base-Backbone interact. energy: -0.059
local terms energy: -103.051496
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -20.299
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: 10
Temperature: 1.000000
Total energy: -276.815232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.815232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.815232 (E_RNA)
where:
Base-Base interactions energy: -161.099
where: short stacking energy: -107.351
Base-Backbone interact. energy: -1.053
local terms energy: -114.663692
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -281.242640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.242640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.242640 (E_RNA)
where:
Base-Base interactions energy: -171.459
where: short stacking energy: -113.525
Base-Backbone interact. energy: -0.511
local terms energy: -109.272550
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -31.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -204.028873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.028873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.028873 (E_RNA)
where:
Base-Base interactions energy: -112.880
where: short stacking energy: -79.524
Base-Backbone interact. energy: -0.812
local terms energy: -90.336432
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -20.805
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: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -220.743367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.743367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.743367 (E_RNA)
where:
Base-Base interactions energy: -133.325
where: short stacking energy: -67.332
Base-Backbone interact. energy: -1.584
local terms energy: -85.834645
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -14.122
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -202.653821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.653821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.653821 (E_RNA)
where:
Base-Base interactions energy: -128.827
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.816
local terms energy: -73.010595
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -7.520
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -183.086813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.086813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.086813 (E_RNA)
where:
Base-Base interactions energy: -93.155
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.013
local terms energy: -89.919517
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -176.943302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.943302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943302 (E_RNA)
where:
Base-Base interactions energy: -92.611
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.361
local terms energy: -83.971818
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -13.946
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: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -135.640415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.640415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.640415 (E_RNA)
where:
Base-Base interactions energy: -57.872
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.724
local terms energy: -77.044635
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -308.142579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.142579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.142579 (E_RNA)
where:
Base-Base interactions energy: -189.354
where: short stacking energy: -90.599
Base-Backbone interact. energy: -2.052
local terms energy: -116.736557
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -19.931
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -294.262245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.262245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.262245 (E_RNA)
where:
Base-Base interactions energy: -181.552
where: short stacking energy: -96.537
Base-Backbone interact. energy: -1.342
local terms energy: -111.367686
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -274.193755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.193755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.193755 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -92.780
Base-Backbone interact. energy: 0.330
local terms energy: -117.162696
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -265.958248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.958248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.958248 (E_RNA)
where:
Base-Base interactions energy: -151.526
where: short stacking energy: -77.576
Base-Backbone interact. energy: 0.361
local terms energy: -114.793162
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -21.899
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: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -207.436184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.436184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.436184 (E_RNA)
where:
Base-Base interactions energy: -112.097
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.368
local terms energy: -94.971325
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -210.871452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.871452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.871452 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.289
local terms energy: -97.484536
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -194.055423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.055423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.055423 (E_RNA)
where:
Base-Base interactions energy: -109.134
where: short stacking energy: -56.082
Base-Backbone interact. energy: -0.956
local terms energy: -83.965257
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -193.212936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.212936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.212936 (E_RNA)
where:
Base-Base interactions energy: -117.775
where: short stacking energy: -61.146
Base-Backbone interact. energy: 0.534
local terms energy: -75.971853
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -177.964392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.964392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.964392 (E_RNA)
where:
Base-Base interactions energy: -98.524
where: short stacking energy: -68.690
Base-Backbone interact. energy: -0.221
local terms energy: -79.219276
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -149.377115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.377115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.377115 (E_RNA)
where:
Base-Base interactions energy: -94.768
where: short stacking energy: -43.664
Base-Backbone interact. energy: -0.590
local terms energy: -54.019717
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -0.379
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -306.787150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.787150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.787150 (E_RNA)
where:
Base-Base interactions energy: -201.119
where: short stacking energy: -92.593
Base-Backbone interact. energy: -1.788
local terms energy: -103.879271
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -306.508033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.508033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.508033 (E_RNA)
where:
Base-Base interactions energy: -190.229
where: short stacking energy: -116.968
Base-Backbone interact. energy: -1.747
local terms energy: -114.531576
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -30.963
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -268.005914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.005914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.005914 (E_RNA)
where:
Base-Base interactions energy: -178.974
where: short stacking energy: -85.334
Base-Backbone interact. energy: -0.515
local terms energy: -88.516301
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -12.667
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -243.382379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.382379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.382379 (E_RNA)
where:
Base-Base interactions energy: -147.865
where: short stacking energy: -91.971
Base-Backbone interact. energy: 0.276
local terms energy: -95.793664
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -12.765
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: 12
Temperature: 1.100000
Total energy: -214.531563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.531563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.531563 (E_RNA)
where:
Base-Base interactions energy: -126.213
where: short stacking energy: -79.379
Base-Backbone interact. energy: 0.235
local terms energy: -88.553353
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -210.442046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.442046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.442046 (E_RNA)
where:
Base-Base interactions energy: -113.696
where: short stacking energy: -81.982
Base-Backbone interact. energy: -0.490
local terms energy: -96.255919
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -186.564803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.564803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.564803 (E_RNA)
where:
Base-Base interactions energy: -91.396
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.105
local terms energy: -95.063494
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -145.021716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.021716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.021716 (E_RNA)
where:
Base-Base interactions energy: -54.639
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.082
local terms energy: -90.300930
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -9.849
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: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -183.872602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.872602 (E_RNA)
where:
Base-Base interactions energy: -101.830
where: short stacking energy: -67.637
Base-Backbone interact. energy: -1.621
local terms energy: -80.421435
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -130.879111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.879111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.879111 (E_RNA)
where:
Base-Base interactions energy: -53.063
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.344
local terms energy: -77.471842
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -11.251
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: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -296.266451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.266451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.266451 (E_RNA)
where:
Base-Base interactions energy: -187.057
where: short stacking energy: -97.359
Base-Backbone interact. energy: -1.183
local terms energy: -108.027077
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -320.334534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.334534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.334534 (E_RNA)
where:
Base-Base interactions energy: -204.230
where: short stacking energy: -120.225
Base-Backbone interact. energy: -0.935
local terms energy: -115.170051
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -30.160
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -282.768215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.768215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.768215 (E_RNA)
where:
Base-Base interactions energy: -186.619
where: short stacking energy: -91.765
Base-Backbone interact. energy: -0.551
local terms energy: -95.598125
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -236.946239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.946239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.946239 (E_RNA)
where:
Base-Base interactions energy: -138.055
where: short stacking energy: -99.830
Base-Backbone interact. energy: -0.204
local terms energy: -98.686494
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -22.886
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: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -222.793539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.793539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.793539 (E_RNA)
where:
Base-Base interactions energy: -115.471
where: short stacking energy: -83.275
Base-Backbone interact. energy: -0.001
local terms energy: -107.321520
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -20.628
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: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -226.039919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.039919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.039919 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -82.430
Base-Backbone interact. energy: -0.237
local terms energy: -95.729483
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -12.585
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: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -152.279957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.279957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.279957 (E_RNA)
where:
Base-Base interactions energy: -72.217
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.141
local terms energy: -79.922051
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -171.570138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.570138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.570138 (E_RNA)
where:
Base-Base interactions energy: -87.957
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.322
local terms energy: -83.290698
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -134.142488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.142488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.142488 (E_RNA)
where:
Base-Base interactions energy: -56.730
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.178
local terms energy: -77.234731
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -126.124642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.124642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.124642 (E_RNA)
where:
Base-Base interactions energy: -52.402
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.293
local terms energy: -73.429463
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -3.596
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -297.758301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.758301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.758301 (E_RNA)
where:
Base-Base interactions energy: -180.055
where: short stacking energy: -92.006
Base-Backbone interact. energy: -1.219
local terms energy: -116.484144
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -274.607006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.607006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.607006 (E_RNA)
where:
Base-Base interactions energy: -170.782
where: short stacking energy: -89.030
Base-Backbone interact. energy: -0.149
local terms energy: -103.676196
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -284.493407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.493407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.493407 (E_RNA)
where:
Base-Base interactions energy: -199.827
where: short stacking energy: -96.219
Base-Backbone interact. energy: -0.035
local terms energy: -84.631049
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -15.100
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -231.868691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.868691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.868691 (E_RNA)
where:
Base-Base interactions energy: -138.849
where: short stacking energy: -85.615
Base-Backbone interact. energy: -0.062
local terms energy: -92.957839
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -20.573
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: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -236.797944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.797944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.797944 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -83.564
Base-Backbone interact. energy: -0.776
local terms energy: -80.053661
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -211.297670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.297670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.297670 (E_RNA)
where:
Base-Base interactions energy: -131.054
where: short stacking energy: -91.692
Base-Backbone interact. energy: 3.199
local terms energy: -83.441816
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -17.380
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -141.969383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.969383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.969383 (E_RNA)
where:
Base-Base interactions energy: -69.906
where: short stacking energy: -47.508
Base-Backbone interact. energy: 0.172
local terms energy: -72.235551
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -2.716
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -150.613702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.613702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.613702 (E_RNA)
where:
Base-Base interactions energy: -78.017
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.277
local terms energy: -72.319792
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -128.457352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.457352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.457352 (E_RNA)
where:
Base-Base interactions energy: -55.019
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.138
local terms energy: -73.300429
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -2.958
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -145.964633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.964633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.964633 (E_RNA)
where:
Base-Base interactions energy: -58.142
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.109
local terms energy: -87.713349
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -293.093009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.093009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.093009 (E_RNA)
where:
Base-Base interactions energy: -181.443
where: short stacking energy: -101.376
Base-Backbone interact. energy: 0.459
local terms energy: -112.108766
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -298.057829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.057829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.057829 (E_RNA)
where:
Base-Base interactions energy: -203.247
where: short stacking energy: -92.111
Base-Backbone interact. energy: -0.491
local terms energy: -94.320437
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -283.509455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.509455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.509455 (E_RNA)
where:
Base-Base interactions energy: -177.979
where: short stacking energy: -95.796
Base-Backbone interact. energy: -1.433
local terms energy: -104.098050
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -266.639065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639065 (E_RNA)
where:
Base-Base interactions energy: -159.305
where: short stacking energy: -97.988
Base-Backbone interact. energy: -0.396
local terms energy: -106.938259
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -212.220864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220864 (E_RNA)
where:
Base-Base interactions energy: -130.371
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.256
local terms energy: -81.593603
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -13.081
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: 15
Temperature: 1.150000
Total energy: -263.077055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.077055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.077055 (E_RNA)
where:
Base-Base interactions energy: -162.983
where: short stacking energy: -89.585
Base-Backbone interact. energy: -0.383
local terms energy: -99.711502
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -24.717
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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -179.776779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.776779 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -59.298
Base-Backbone interact. energy: 0.293
local terms energy: -89.712954
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -145.166209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.166209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.166209 (E_RNA)
where:
Base-Base interactions energy: -54.753
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.156
local terms energy: -90.257454
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -135.812407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.812407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.812407 (E_RNA)
where:
Base-Base interactions energy: -57.545
where: short stacking energy: -48.526
Base-Backbone interact. energy: -0.504
local terms energy: -77.763433
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -13.589
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -133.380628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.380628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.380628 (E_RNA)
where:
Base-Base interactions energy: -58.590
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.496
local terms energy: -74.295113
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -303.099657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.099657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.099657 (E_RNA)
where:
Base-Base interactions energy: -203.890
where: short stacking energy: -97.487
Base-Backbone interact. energy: -0.608
local terms energy: -98.601591
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -279.143403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.143403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.143403 (E_RNA)
where:
Base-Base interactions energy: -174.159
where: short stacking energy: -93.833
Base-Backbone interact. energy: -0.694
local terms energy: -104.290122
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -276.853033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.853033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.853033 (E_RNA)
where:
Base-Base interactions energy: -169.608
where: short stacking energy: -85.495
Base-Backbone interact. energy: 0.151
local terms energy: -107.396665
where:
bonds (distance) C4'-P energy: -25.494
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -262.802507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.802507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.802507 (E_RNA)
where:
Base-Base interactions energy: -169.342
where: short stacking energy: -93.343
Base-Backbone interact. energy: -0.531
local terms energy: -92.929407
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -241.495305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.495305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.495305 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -80.695
Base-Backbone interact. energy: 0.125
local terms energy: -89.714662
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -10.685
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: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -218.240697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.240697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.240697 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.608
local terms energy: -88.012811
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -8.678
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -200.514392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.514392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.514392 (E_RNA)
where:
Base-Base interactions energy: -118.448
where: short stacking energy: -80.498
Base-Backbone interact. energy: -1.076
local terms energy: -80.990672
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -15.276
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -127.928985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.928985 (E_RNA)
where:
Base-Base interactions energy: -53.231
where: short stacking energy: -47.974
Base-Backbone interact. energy: 0.347
local terms energy: -75.044895
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -163.753297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.753297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.753297 (E_RNA)
where:
Base-Base interactions energy: -93.972
where: short stacking energy: -54.830
Base-Backbone interact. energy: 1.463
local terms energy: -71.244068
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -124.750050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.750050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.750050 (E_RNA)
where:
Base-Base interactions energy: -51.865
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.191
local terms energy: -72.693722
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: 3.920
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: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -313.655233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.655233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.655233 (E_RNA)
where:
Base-Base interactions energy: -199.634
where: short stacking energy: -97.210
Base-Backbone interact. energy: -0.947
local terms energy: -113.074320
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -25.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -308.962470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.962470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.962470 (E_RNA)
where:
Base-Base interactions energy: -188.698
where: short stacking energy: -98.964
Base-Backbone interact. energy: -1.430
local terms energy: -118.834766
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -254.998141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.998141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.998141 (E_RNA)
where:
Base-Base interactions energy: -151.191
where: short stacking energy: -87.577
Base-Backbone interact. energy: -3.365
local terms energy: -100.441872
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -17.419
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: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -251.197433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.197433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.197433 (E_RNA)
where:
Base-Base interactions energy: -154.545
where: short stacking energy: -86.711
Base-Backbone interact. energy: -1.116
local terms energy: -95.536127
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -270.978848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.978848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.978848 (E_RNA)
where:
Base-Base interactions energy: -171.420
where: short stacking energy: -83.165
Base-Backbone interact. energy: -0.856
local terms energy: -98.703508
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -18.323
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: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -225.416271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.416271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.416271 (E_RNA)
where:
Base-Base interactions energy: -119.399
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.110
local terms energy: -105.907767
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -16.189
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: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -223.952537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.952537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.952537 (E_RNA)
where:
Base-Base interactions energy: -148.008
where: short stacking energy: -80.027
Base-Backbone interact. energy: 0.057
local terms energy: -76.000844
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -144.372863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.372863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.372863 (E_RNA)
where:
Base-Base interactions energy: -64.301
where: short stacking energy: -64.022
Base-Backbone interact. energy: 0.351
local terms energy: -80.422813
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -10.482
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -154.222271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.222271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.222271 (E_RNA)
where:
Base-Base interactions energy: -81.551
where: short stacking energy: -49.125
Base-Backbone interact. energy: 2.356
local terms energy: -75.027631
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -134.176236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.176236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.176236 (E_RNA)
where:
Base-Base interactions energy: -64.532
where: short stacking energy: -40.882
Base-Backbone interact. energy: -0.155
local terms energy: -69.489356
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -316.371473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.371473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.371473 (E_RNA)
where:
Base-Base interactions energy: -210.252
where: short stacking energy: -108.770
Base-Backbone interact. energy: -3.420
local terms energy: -102.700060
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -309.077061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.077061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.077061 (E_RNA)
where:
Base-Base interactions energy: -196.892
where: short stacking energy: -107.955
Base-Backbone interact. energy: -1.693
local terms energy: -110.491539
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -28.104
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: 18
Temperature: 1.000000
Total energy: -297.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.932892 (E_RNA)
where:
Base-Base interactions energy: -184.971
where: short stacking energy: -105.117
Base-Backbone interact. energy: -0.457
local terms energy: -112.504911
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -250.565044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.565044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.565044 (E_RNA)
where:
Base-Base interactions energy: -156.148
where: short stacking energy: -100.561
Base-Backbone interact. energy: -0.116
local terms energy: -94.300440
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -263.206007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.206007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.206007 (E_RNA)
where:
Base-Base interactions energy: -164.651
where: short stacking energy: -80.127
Base-Backbone interact. energy: -1.526
local terms energy: -97.028865
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -13.312
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -214.501605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.501605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.501605 (E_RNA)
where:
Base-Base interactions energy: -111.954
where: short stacking energy: -71.243
Base-Backbone interact. energy: -0.082
local terms energy: -102.465414
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -17.319
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: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -177.992325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.992325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.992325 (E_RNA)
where:
Base-Base interactions energy: -83.444
where: short stacking energy: -63.863
Base-Backbone interact. energy: 0.254
local terms energy: -94.801665
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -16.165
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -142.372899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.372899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.372899 (E_RNA)
where:
Base-Base interactions energy: -62.604
where: short stacking energy: -51.715
Base-Backbone interact. energy: 0.942
local terms energy: -80.710685
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -7.074
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: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -123.548469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.548469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.548469 (E_RNA)
where:
Base-Base interactions energy: -48.597
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.178
local terms energy: -74.773203
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -125.446055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.446055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.446055 (E_RNA)
where:
Base-Base interactions energy: -68.188
where: short stacking energy: -63.663
Base-Backbone interact. energy: -0.122
local terms energy: -57.135566
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: 0.043
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -299.564290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.564290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.564290 (E_RNA)
where:
Base-Base interactions energy: -200.359
where: short stacking energy: -95.337
Base-Backbone interact. energy: -1.198
local terms energy: -98.006571
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -23.520
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: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -314.629875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.629875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.629875 (E_RNA)
where:
Base-Base interactions energy: -199.488
where: short stacking energy: -104.757
Base-Backbone interact. energy: -0.398
local terms energy: -114.743911
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -25.997
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: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -286.794044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.794044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.794044 (E_RNA)
where:
Base-Base interactions energy: -178.703
where: short stacking energy: -97.522
Base-Backbone interact. energy: -0.048
local terms energy: -108.043109
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -262.396254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.396254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.396254 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -90.614
Base-Backbone interact. energy: -0.180
local terms energy: -107.452159
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -23.937
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: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -257.890440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.890440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.890440 (E_RNA)
where:
Base-Base interactions energy: -151.588
where: short stacking energy: -77.959
Base-Backbone interact. energy: -0.387
local terms energy: -105.915437
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -203.939681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.939681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.939681 (E_RNA)
where:
Base-Base interactions energy: -100.939
where: short stacking energy: -82.359
Base-Backbone interact. energy: -0.635
local terms energy: -102.365268
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -21.989
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -198.784170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.784170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.784170 (E_RNA)
where:
Base-Base interactions energy: -120.967
where: short stacking energy: -72.794
Base-Backbone interact. energy: 0.566
local terms energy: -78.384088
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -7.230
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: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -127.362343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.362343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.362343 (E_RNA)
where:
Base-Base interactions energy: -55.430
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.298
local terms energy: -71.634110
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -178.505101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.505101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.505101 (E_RNA)
where:
Base-Base interactions energy: -83.517
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.095
local terms energy: -94.893069
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -121.668411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.668411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.668411 (E_RNA)
where:
Base-Base interactions energy: -52.390
where: short stacking energy: -42.136
Base-Backbone interact. energy: -0.231
local terms energy: -69.047938
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: 4.754
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: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -308.136580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.136580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.136580 (E_RNA)
where:
Base-Base interactions energy: -201.785
where: short stacking energy: -95.740
Base-Backbone interact. energy: -0.234
local terms energy: -106.117694
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -306.943683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.943683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.943683 (E_RNA)
where:
Base-Base interactions energy: -193.263
where: short stacking energy: -96.332
Base-Backbone interact. energy: -1.251
local terms energy: -112.430202
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -282.425222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.425222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.425222 (E_RNA)
where:
Base-Base interactions energy: -180.002
where: short stacking energy: -98.847
Base-Backbone interact. energy: 0.218
local terms energy: -102.641104
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -250.590857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.590857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.590857 (E_RNA)
where:
Base-Base interactions energy: -145.643
where: short stacking energy: -103.139
Base-Backbone interact. energy: -0.056
local terms energy: -104.892515
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -280.979268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.979268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.979268 (E_RNA)
where:
Base-Base interactions energy: -174.060
where: short stacking energy: -99.405
Base-Backbone interact. energy: -1.125
local terms energy: -105.793956
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -195.410914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410914 (E_RNA)
where:
Base-Base interactions energy: -106.029
where: short stacking energy: -72.135
Base-Backbone interact. energy: 1.756
local terms energy: -91.138283
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -207.517624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.517624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.517624 (E_RNA)
where:
Base-Base interactions energy: -112.266
where: short stacking energy: -75.694
Base-Backbone interact. energy: -1.173
local terms energy: -94.079082
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -128.322887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.322887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.322887 (E_RNA)
where:
Base-Base interactions energy: -55.326
where: short stacking energy: -46.336
Base-Backbone interact. energy: 0.809
local terms energy: -73.805492
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -135.604418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.604418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.604418 (E_RNA)
where:
Base-Base interactions energy: -58.454
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.936
local terms energy: -76.214691
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -131.941252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.941252 (E_RNA)
where:
Base-Base interactions energy: -55.898
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.120
local terms energy: -75.923806
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -320.156538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.156538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.156538 (E_RNA)
where:
Base-Base interactions energy: -220.736
where: short stacking energy: -105.329
Base-Backbone interact. energy: -0.336
local terms energy: -99.084521
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -27.108
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -317.717027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.717027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.717027 (E_RNA)
where:
Base-Base interactions energy: -214.099
where: short stacking energy: -99.655
Base-Backbone interact. energy: -2.932
local terms energy: -100.686679
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -285.952629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.952629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.952629 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -102.882
Base-Backbone interact. energy: -0.333
local terms energy: -113.023706
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -264.966390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.966390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.966390 (E_RNA)
where:
Base-Base interactions energy: -152.622
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.463
local terms energy: -111.881498
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -23.450
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -215.904744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.904744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.904744 (E_RNA)
where:
Base-Base interactions energy: -128.285
where: short stacking energy: -78.161
Base-Backbone interact. energy: -0.138
local terms energy: -87.482221
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -212.205684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.205684 (E_RNA)
where:
Base-Base interactions energy: -116.750
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.167
local terms energy: -95.288679
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -18.579
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: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -190.126020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.126020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.126020 (E_RNA)
where:
Base-Base interactions energy: -98.027
where: short stacking energy: -75.655
Base-Backbone interact. energy: -0.588
local terms energy: -91.511396
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -140.936475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.936475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.936475 (E_RNA)
where:
Base-Base interactions energy: -69.756
where: short stacking energy: -50.768
Base-Backbone interact. energy: -0.270
local terms energy: -70.911402
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -1.721
tors. eta vs tors. theta energy: -6.437
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: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -130.923994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.923994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.923994 (E_RNA)
where:
Base-Base interactions energy: -58.164
where: short stacking energy: -45.253
Base-Backbone interact. energy: -0.997
local terms energy: -71.763363
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -128.595013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.595013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.595013 (E_RNA)
where:
Base-Base interactions energy: -54.462
where: short stacking energy: -48.833
Base-Backbone interact. energy: -1.057
local terms energy: -73.076264
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -6.116
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -327.539077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.539077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.539077 (E_RNA)
where:
Base-Base interactions energy: -215.354
where: short stacking energy: -88.723
Base-Backbone interact. energy: 0.022
local terms energy: -112.206651
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -301.289314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.289314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.289314 (E_RNA)
where:
Base-Base interactions energy: -200.180
where: short stacking energy: -103.735
Base-Backbone interact. energy: -1.450
local terms energy: -99.658751
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -304.920043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.920043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.920043 (E_RNA)
where:
Base-Base interactions energy: -191.964
where: short stacking energy: -115.779
Base-Backbone interact. energy: -0.163
local terms energy: -112.792446
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -30.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -288.054915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.054915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.054915 (E_RNA)
where:
Base-Base interactions energy: -175.681
where: short stacking energy: -108.133
Base-Backbone interact. energy: -0.053
local terms energy: -112.320805
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -213.974531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974531 (E_RNA)
where:
Base-Base interactions energy: -111.730
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.258
local terms energy: -101.986301
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -209.636125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.636125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.636125 (E_RNA)
where:
Base-Base interactions energy: -115.054
where: short stacking energy: -78.707
Base-Backbone interact. energy: -0.086
local terms energy: -94.495677
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -192.314014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.314014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.314014 (E_RNA)
where:
Base-Base interactions energy: -102.165
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.096
local terms energy: -90.052779
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -13.946
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: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -149.876714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.876714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.876714 (E_RNA)
where:
Base-Base interactions energy: -63.119
where: short stacking energy: -49.840
Base-Backbone interact. energy: 0.389
local terms energy: -87.147219
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -5.547
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -131.779503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.779503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.779503 (E_RNA)
where:
Base-Base interactions energy: -61.702
where: short stacking energy: -41.311
Base-Backbone interact. energy: -0.905
local terms energy: -69.172779
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -152.077005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.077005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.077005 (E_RNA)
where:
Base-Base interactions energy: -85.341
where: short stacking energy: -57.060
Base-Backbone interact. energy: -1.038
local terms energy: -65.697821
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -335.765804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.765804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.765804 (E_RNA)
where:
Base-Base interactions energy: -221.058
where: short stacking energy: -91.899
Base-Backbone interact. energy: -1.291
local terms energy: -113.416280
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -289.464447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.464447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.464447 (E_RNA)
where:
Base-Base interactions energy: -183.528
where: short stacking energy: -107.534
Base-Backbone interact. energy: 0.122
local terms energy: -106.058466
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -24.887
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: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -294.289324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.289324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.289324 (E_RNA)
where:
Base-Base interactions energy: -197.330
where: short stacking energy: -97.550
Base-Backbone interact. energy: -0.772
local terms energy: -96.186943
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -19.056
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -278.867983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.867983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.867983 (E_RNA)
where:
Base-Base interactions energy: -172.045
where: short stacking energy: -96.052
Base-Backbone interact. energy: -0.602
local terms energy: -106.220769
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -219.054306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.054306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054306 (E_RNA)
where:
Base-Base interactions energy: -123.641
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.074
local terms energy: -95.339480
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -14.110
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: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -211.778895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.778895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.778895 (E_RNA)
where:
Base-Base interactions energy: -117.267
where: short stacking energy: -74.524
Base-Backbone interact. energy: 0.219
local terms energy: -94.731079
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -16.720
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: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -199.226125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.226125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.226125 (E_RNA)
where:
Base-Base interactions energy: -118.283
where: short stacking energy: -74.727
Base-Backbone interact. energy: -0.665
local terms energy: -80.278281
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -12.184
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: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -143.715103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.715103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.715103 (E_RNA)
where:
Base-Base interactions energy: -70.046
where: short stacking energy: -58.394
Base-Backbone interact. energy: 0.734
local terms energy: -74.403308
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -157.089392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.089392 (E_RNA)
where:
Base-Base interactions energy: -80.172
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.054
local terms energy: -76.863673
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -119.059793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.059793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.059793 (E_RNA)
where:
Base-Base interactions energy: -54.382
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.004
local terms energy: -64.673302
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -334.684900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.684900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.684900 (E_RNA)
where:
Base-Base interactions energy: -221.635
where: short stacking energy: -95.303
Base-Backbone interact. energy: 0.201
local terms energy: -113.250509
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -17.128
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: 9
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -279.242542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.242542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.242542 (E_RNA)
where:
Base-Base interactions energy: -171.177
where: short stacking energy: -93.220
Base-Backbone interact. energy: -2.029
local terms energy: -106.036247
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -295.702808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.702808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.702808 (E_RNA)
where:
Base-Base interactions energy: -187.337
where: short stacking energy: -100.886
Base-Backbone interact. energy: -0.638
local terms energy: -107.728131
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -18.445
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: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -273.061800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.061800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.061800 (E_RNA)
where:
Base-Base interactions energy: -173.666
where: short stacking energy: -89.548
Base-Backbone interact. energy: -0.300
local terms energy: -99.095559
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -17.874
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -208.101616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101616 (E_RNA)
where:
Base-Base interactions energy: -121.085
where: short stacking energy: -74.279
Base-Backbone interact. energy: -0.090
local terms energy: -86.927311
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -5.984
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: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -198.005052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.005052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.005052 (E_RNA)
where:
Base-Base interactions energy: -105.502
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.600
local terms energy: -91.903235
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -204.327059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.327059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.327059 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.904
local terms energy: -85.022663
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.142
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: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -139.117205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.117205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.117205 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.182
local terms energy: -76.754245
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -134.933193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.933193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.933193 (E_RNA)
where:
Base-Base interactions energy: -52.779
where: short stacking energy: -53.779
Base-Backbone interact. energy: 0.019
local terms energy: -82.172961
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -4.014
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -141.724300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.724300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.724300 (E_RNA)
where:
Base-Base interactions energy: -66.654
where: short stacking energy: -51.259
Base-Backbone interact. energy: 0.659
local terms energy: -75.728653
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -10.196
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: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -332.895164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.895164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.895164 (E_RNA)
where:
Base-Base interactions energy: -222.377
where: short stacking energy: -102.395
Base-Backbone interact. energy: -1.000
local terms energy: -109.517946
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -308.767566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.767566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.767566 (E_RNA)
where:
Base-Base interactions energy: -198.673
where: short stacking energy: -101.620
Base-Backbone interact. energy: -0.112
local terms energy: -109.982947
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -275.606068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.606068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.606068 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -93.337
Base-Backbone interact. energy: -0.210
local terms energy: -104.981871
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -22.033
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: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -267.525729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.525729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.525729 (E_RNA)
where:
Base-Base interactions energy: -176.144
where: short stacking energy: -87.797
Base-Backbone interact. energy: -1.637
local terms energy: -89.745142
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -211.003760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.003760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.003760 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -78.090
Base-Backbone interact. energy: 0.277
local terms energy: -91.927718
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -207.672012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.672012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.672012 (E_RNA)
where:
Base-Base interactions energy: -106.842
where: short stacking energy: -62.232
Base-Backbone interact. energy: 0.401
local terms energy: -101.231364
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -14.944
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: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -188.624906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.624906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.624906 (E_RNA)
where:
Base-Base interactions energy: -104.906
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.600
local terms energy: -83.119288
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -162.599502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.599502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.599502 (E_RNA)
where:
Base-Base interactions energy: -70.386
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.304
local terms energy: -91.909448
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -138.397097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.397097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.397097 (E_RNA)
where:
Base-Base interactions energy: -57.967
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.176
local terms energy: -80.254161
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -6.181
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -140.565273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.565273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.565273 (E_RNA)
where:
Base-Base interactions energy: -58.455
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.273
local terms energy: -81.836604
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -325.144775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.144775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.144775 (E_RNA)
where:
Base-Base interactions energy: -206.761
where: short stacking energy: -116.339
Base-Backbone interact. energy: -0.298
local terms energy: -118.084867
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -322.591361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.591361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.591361 (E_RNA)
where:
Base-Base interactions energy: -211.641
where: short stacking energy: -93.910
Base-Backbone interact. energy: -0.720
local terms energy: -110.230204
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -290.328242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.328242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.328242 (E_RNA)
where:
Base-Base interactions energy: -184.200
where: short stacking energy: -109.287
Base-Backbone interact. energy: -0.119
local terms energy: -106.008435
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -273.014615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.014615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.014615 (E_RNA)
where:
Base-Base interactions energy: -170.345
where: short stacking energy: -101.873
Base-Backbone interact. energy: -2.095
local terms energy: -100.574275
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -21.425
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: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -221.589307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589307 (E_RNA)
where:
Base-Base interactions energy: -124.491
where: short stacking energy: -70.184
Base-Backbone interact. energy: -0.597
local terms energy: -96.501242
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -228.277809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.277809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.277809 (E_RNA)
where:
Base-Base interactions energy: -130.484
where: short stacking energy: -86.465
Base-Backbone interact. energy: -0.035
local terms energy: -97.758507
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -146.858133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.858133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.858133 (E_RNA)
where:
Base-Base interactions energy: -61.519
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.290
local terms energy: -85.049562
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -10.273
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -143.725534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.725534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.725534 (E_RNA)
where:
Base-Base interactions energy: -82.284
where: short stacking energy: -59.507
Base-Backbone interact. energy: 0.636
local terms energy: -62.076962
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -6.305
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: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -127.786793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.786793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.786793 (E_RNA)
where:
Base-Base interactions energy: -48.209
where: short stacking energy: -47.871
Base-Backbone interact. energy: 1.033
local terms energy: -80.611017
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -125.156453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.156453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.156453 (E_RNA)
where:
Base-Base interactions energy: -40.925
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.364
local terms energy: -83.867535
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -324.718008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.718008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.718008 (E_RNA)
where:
Base-Base interactions energy: -217.353
where: short stacking energy: -107.199
Base-Backbone interact. energy: -0.242
local terms energy: -107.123819
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -26.496
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -319.734030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.734030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.734030 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -107.782
Base-Backbone interact. energy: -1.285
local terms energy: -115.296626
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -29.643
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: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -313.908178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.908178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.908178 (E_RNA)
where:
Base-Base interactions energy: -216.781
where: short stacking energy: -84.061
Base-Backbone interact. energy: -1.639
local terms energy: -95.487967
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -16.066
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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -271.000121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.000121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.000121 (E_RNA)
where:
Base-Base interactions energy: -164.673
where: short stacking energy: -94.504
Base-Backbone interact. energy: -0.681
local terms energy: -105.646276
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -20.840
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -248.635803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.635803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.635803 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -97.405
Base-Backbone interact. energy: -1.107
local terms energy: -105.191015
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -248.322000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.322000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.322000 (E_RNA)
where:
Base-Base interactions energy: -161.898
where: short stacking energy: -86.697
Base-Backbone interact. energy: -1.172
local terms energy: -85.251332
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -163.420406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.420406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.420406 (E_RNA)
where:
Base-Base interactions energy: -88.051
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.928
local terms energy: -74.441027
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -139.854911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.854911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.854911 (E_RNA)
where:
Base-Base interactions energy: -60.008
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.163
local terms energy: -79.683914
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -174.111904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.111904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.111904 (E_RNA)
where:
Base-Base interactions energy: -91.658
where: short stacking energy: -58.873
Base-Backbone interact. energy: -0.816
local terms energy: -81.638770
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -133.779830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.779830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.779830 (E_RNA)
where:
Base-Base interactions energy: -62.192
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.200
local terms energy: -71.388162
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -7.665
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: 28
Temperature: 0.900000
Total energy: -335.145284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.145284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.145284 (E_RNA)
where:
Base-Base interactions energy: -220.379
where: short stacking energy: -123.141
Base-Backbone interact. energy: -0.210
local terms energy: -114.556106
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -31.738
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: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -340.641915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.641915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.641915 (E_RNA)
where:
Base-Base interactions energy: -221.344
where: short stacking energy: -113.689
Base-Backbone interact. energy: -0.175
local terms energy: -119.122417
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -278.632085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.632085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.632085 (E_RNA)
where:
Base-Base interactions energy: -166.227
where: short stacking energy: -95.470
Base-Backbone interact. energy: 0.634
local terms energy: -113.039030
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -21.728
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -298.405936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.405936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.405936 (E_RNA)
where:
Base-Base interactions energy: -203.511
where: short stacking energy: -89.992
Base-Backbone interact. energy: -2.466
local terms energy: -92.428915
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -240.286053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.286053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.286053 (E_RNA)
where:
Base-Base interactions energy: -140.497
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.414
local terms energy: -99.375261
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -257.569504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.569504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.569504 (E_RNA)
where:
Base-Base interactions energy: -163.059
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.965
local terms energy: -93.545210
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -168.515398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.515398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.515398 (E_RNA)
where:
Base-Base interactions energy: -83.547
where: short stacking energy: -73.091
Base-Backbone interact. energy: 2.592
local terms energy: -87.560107
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -141.778707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.778707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.778707 (E_RNA)
where:
Base-Base interactions energy: -69.643
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.108
local terms energy: -72.027610
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -121.824096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.824096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.824096 (E_RNA)
where:
Base-Base interactions energy: -58.368
where: short stacking energy: -52.259
Base-Backbone interact. energy: -2.057
local terms energy: -61.398846
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -167.948138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.948138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.948138 (E_RNA)
where:
Base-Base interactions energy: -94.973
where: short stacking energy: -48.226
Base-Backbone interact. energy: 1.384
local terms energy: -74.359062
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -325.432158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.432158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.432158 (E_RNA)
where:
Base-Base interactions energy: -205.220
where: short stacking energy: -108.850
Base-Backbone interact. energy: -0.838
local terms energy: -119.374397
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -320.290102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.290102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.290102 (E_RNA)
where:
Base-Base interactions energy: -214.488
where: short stacking energy: -115.729
Base-Backbone interact. energy: -1.688
local terms energy: -104.114713
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -274.223830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.223830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.223830 (E_RNA)
where:
Base-Base interactions energy: -174.440
where: short stacking energy: -106.381
Base-Backbone interact. energy: -0.667
local terms energy: -99.116731
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -23.150
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: 29
Temperature: 1.050000
Total energy: -299.473621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.473621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.473621 (E_RNA)
where:
Base-Base interactions energy: -202.557
where: short stacking energy: -100.886
Base-Backbone interact. energy: -0.026
local terms energy: -96.890695
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -20.192
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -244.211054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.211054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.211054 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -83.161
Base-Backbone interact. energy: 0.695
local terms energy: -110.179368
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -23.664
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: 29
Temperature: 1.150000
Total energy: -259.643692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.643692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.643692 (E_RNA)
where:
Base-Base interactions energy: -172.495
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.471
local terms energy: -86.677252
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -9.264
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: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -157.308224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.308224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.308224 (E_RNA)
where:
Base-Base interactions energy: -73.896
where: short stacking energy: -53.827
Base-Backbone interact. energy: 1.602
local terms energy: -85.013894
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -12.294
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: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -150.491292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.491292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.491292 (E_RNA)
where:
Base-Base interactions energy: -64.204
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.427
local terms energy: -85.859798
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -119.805576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.805576 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -35.213
Base-Backbone interact. energy: -0.304
local terms energy: -73.053090
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: 2.092
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: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -142.265062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.265062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.265062 (E_RNA)
where:
Base-Base interactions energy: -71.717
where: short stacking energy: -41.227
Base-Backbone interact. energy: -2.047
local terms energy: -68.501067
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -335.604833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.604833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.604833 (E_RNA)
where:
Base-Base interactions energy: -213.244
where: short stacking energy: -116.347
Base-Backbone interact. energy: -2.342
local terms energy: -120.018848
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -306.920553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.920553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.920553 (E_RNA)
where:
Base-Base interactions energy: -195.665
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.793
local terms energy: -110.462596
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -21.754
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: 30
Temperature: 1.000000
Total energy: -305.183824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.183824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.183824 (E_RNA)
where:
Base-Base interactions energy: -194.491
where: short stacking energy: -93.629
Base-Backbone interact. energy: -1.069
local terms energy: -109.623445
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -263.897494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.897494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.897494 (E_RNA)
where:
Base-Base interactions energy: -162.909
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.849
local terms energy: -100.139557
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -20.516
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: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -263.949671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.949671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.949671 (E_RNA)
where:
Base-Base interactions energy: -167.655
where: short stacking energy: -84.429
Base-Backbone interact. energy: -0.144
local terms energy: -96.150385
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -16.829
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -229.736993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736993 (E_RNA)
where:
Base-Base interactions energy: -134.878
where: short stacking energy: -69.887
Base-Backbone interact. energy: 0.672
local terms energy: -95.531058
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -17.677
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: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -181.574344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.574344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.574344 (E_RNA)
where:
Base-Base interactions energy: -96.897
where: short stacking energy: -66.602
Base-Backbone interact. energy: -1.226
local terms energy: -83.451430
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -11.691
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: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -144.901246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.901246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.901246 (E_RNA)
where:
Base-Base interactions energy: -73.039
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.844
local terms energy: -71.018214
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -140.395870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.395870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.395870 (E_RNA)
where:
Base-Base interactions energy: -74.547
where: short stacking energy: -62.314
Base-Backbone interact. energy: 0.377
local terms energy: -66.225635
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -134.181909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.181909 (E_RNA)
where:
Base-Base interactions energy: -52.056
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.231
local terms energy: -81.894916
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -332.434399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.434399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.434399 (E_RNA)
where:
Base-Base interactions energy: -217.156
where: short stacking energy: -112.390
Base-Backbone interact. energy: -1.786
local terms energy: -113.492389
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -314.722640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.722640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.722640 (E_RNA)
where:
Base-Base interactions energy: -199.889
where: short stacking energy: -104.761
Base-Backbone interact. energy: -0.386
local terms energy: -114.448046
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -292.444085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.444085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.444085 (E_RNA)
where:
Base-Base interactions energy: -196.722
where: short stacking energy: -90.177
Base-Backbone interact. energy: -0.073
local terms energy: -95.648895
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -15.027
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: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -273.725732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.725732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.725732 (E_RNA)
where:
Base-Base interactions energy: -170.858
where: short stacking energy: -86.621
Base-Backbone interact. energy: -0.392
local terms energy: -102.475835
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -258.044436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.044436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.044436 (E_RNA)
where:
Base-Base interactions energy: -160.205
where: short stacking energy: -84.474
Base-Backbone interact. energy: -0.650
local terms energy: -97.188928
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -216.109672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.109672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.109672 (E_RNA)
where:
Base-Base interactions energy: -124.359
where: short stacking energy: -74.187
Base-Backbone interact. energy: 1.361
local terms energy: -93.111324
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -178.730106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.730106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.730106 (E_RNA)
where:
Base-Base interactions energy: -91.815
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.037
local terms energy: -86.878010
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -12.789
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -158.694213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.694213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.694213 (E_RNA)
where:
Base-Base interactions energy: -78.880
where: short stacking energy: -57.253
Base-Backbone interact. energy: -1.405
local terms energy: -78.409130
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -131.734053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.734053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.734053 (E_RNA)
where:
Base-Base interactions energy: -64.363
where: short stacking energy: -63.874
Base-Backbone interact. energy: 0.642
local terms energy: -68.013029
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -117.333304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.333304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.333304 (E_RNA)
where:
Base-Base interactions energy: -50.099
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.254
local terms energy: -66.979649
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -313.556216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.556216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.556216 (E_RNA)
where:
Base-Base interactions energy: -197.946
where: short stacking energy: -98.237
Base-Backbone interact. energy: -0.054
local terms energy: -115.555751
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -323.207028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.207028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.207028 (E_RNA)
where:
Base-Base interactions energy: -207.416
where: short stacking energy: -102.324
Base-Backbone interact. energy: -0.560
local terms energy: -115.230546
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -28.689
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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -296.831200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.831200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.831200 (E_RNA)
where:
Base-Base interactions energy: -199.914
where: short stacking energy: -97.572
Base-Backbone interact. energy: -1.300
local terms energy: -95.616982
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -248.576259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.576259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.576259 (E_RNA)
where:
Base-Base interactions energy: -171.324
where: short stacking energy: -88.168
Base-Backbone interact. energy: -0.801
local terms energy: -76.451174
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -12.928
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: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -201.903348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.903348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.903348 (E_RNA)
where:
Base-Base interactions energy: -109.741
where: short stacking energy: -88.652
Base-Backbone interact. energy: 1.446
local terms energy: -93.607750
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -245.266522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.266522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.266522 (E_RNA)
where:
Base-Base interactions energy: -162.403
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.616
local terms energy: -82.247931
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -7.038
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -182.889719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.889719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.889719 (E_RNA)
where:
Base-Base interactions energy: -104.143
where: short stacking energy: -69.315
Base-Backbone interact. energy: 0.619
local terms energy: -79.365852
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -136.703274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.703274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.703274 (E_RNA)
where:
Base-Base interactions energy: -58.628
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.272
local terms energy: -77.802573
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -1.993
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: 32
Temperature: 1.300000
Total energy: -132.111823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.111823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.111823 (E_RNA)
where:
Base-Base interactions energy: -52.073
where: short stacking energy: -47.837
Base-Backbone interact. energy: -0.831
local terms energy: -79.207389
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.435
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: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -131.213748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.213748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.213748 (E_RNA)
where:
Base-Base interactions energy: -54.865
where: short stacking energy: -53.865
Base-Backbone interact. energy: -0.354
local terms energy: -75.995052
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -341.581843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.581843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.581843 (E_RNA)
where:
Base-Base interactions energy: -229.721
where: short stacking energy: -111.594
Base-Backbone interact. energy: -1.608
local terms energy: -110.253289
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -20.917
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -331.138318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.138318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.138318 (E_RNA)
where:
Base-Base interactions energy: -216.618
where: short stacking energy: -113.836
Base-Backbone interact. energy: -0.101
local terms energy: -114.420000
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -309.165103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.165103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.165103 (E_RNA)
where:
Base-Base interactions energy: -209.210
where: short stacking energy: -100.653
Base-Backbone interact. energy: 0.663
local terms energy: -100.618079
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -285.559089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.559089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.559089 (E_RNA)
where:
Base-Base interactions energy: -179.365
where: short stacking energy: -100.495
Base-Backbone interact. energy: -0.097
local terms energy: -106.096701
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -25.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -188.002316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.002316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.002316 (E_RNA)
where:
Base-Base interactions energy: -91.020
where: short stacking energy: -86.894
Base-Backbone interact. energy: -0.113
local terms energy: -96.869292
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -227.549763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.549763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.549763 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -79.200
Base-Backbone interact. energy: -1.980
local terms energy: -98.919541
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -204.885678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.885678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.885678 (E_RNA)
where:
Base-Base interactions energy: -122.491
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.110
local terms energy: -82.284175
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -158.969292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.969292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.969292 (E_RNA)
where:
Base-Base interactions energy: -80.755
where: short stacking energy: -60.689
Base-Backbone interact. energy: 0.869
local terms energy: -79.083210
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -11.536
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: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -126.535312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.535312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.535312 (E_RNA)
where:
Base-Base interactions energy: -54.635
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.720
local terms energy: -71.180353
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -131.468131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.468131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.468131 (E_RNA)
where:
Base-Base interactions energy: -55.583
where: short stacking energy: -51.090
Base-Backbone interact. energy: -1.198
local terms energy: -74.687049
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -339.599909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.599909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.599909 (E_RNA)
where:
Base-Base interactions energy: -220.243
where: short stacking energy: -102.493
Base-Backbone interact. energy: -1.059
local terms energy: -118.297040
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -23.061
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: 34
Temperature: 0.950000
Total energy: -325.071007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.071007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.071007 (E_RNA)
where:
Base-Base interactions energy: -210.211
where: short stacking energy: -105.961
Base-Backbone interact. energy: -1.237
local terms energy: -113.622693
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -30.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -309.866984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.866984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.866984 (E_RNA)
where:
Base-Base interactions energy: -208.544
where: short stacking energy: -94.071
Base-Backbone interact. energy: -0.199
local terms energy: -101.123688
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -22.131
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: 34
Temperature: 1.050000
Total energy: -263.370462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.370462 (E_RNA)
where:
Base-Base interactions energy: -175.627
where: short stacking energy: -93.883
Base-Backbone interact. energy: -0.529
local terms energy: -87.214570
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -220.961395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.961395 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.221
local terms energy: -89.760775
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -201.987146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987146 (E_RNA)
where:
Base-Base interactions energy: -127.458
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.315
local terms energy: -74.213809
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -190.017720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.017720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.017720 (E_RNA)
where:
Base-Base interactions energy: -104.797
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.632
local terms energy: -84.588635
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -167.268529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.268529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.268529 (E_RNA)
where:
Base-Base interactions energy: -91.820
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.449
local terms energy: -75.000223
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -171.356885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.356885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.356885 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -59.735
Base-Backbone interact. energy: -0.683
local terms energy: -76.899442
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -130.711927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.711927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.711927 (E_RNA)
where:
Base-Base interactions energy: -46.297
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.161
local terms energy: -84.253743
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -328.044518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.044518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.044518 (E_RNA)
where:
Base-Base interactions energy: -224.689
where: short stacking energy: -106.252
Base-Backbone interact. energy: 0.513
local terms energy: -103.868479
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -331.227813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.227813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.227813 (E_RNA)
where:
Base-Base interactions energy: -213.364
where: short stacking energy: -112.921
Base-Backbone interact. energy: -0.971
local terms energy: -116.893230
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -28.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -299.786569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.786569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.786569 (E_RNA)
where:
Base-Base interactions energy: -186.867
where: short stacking energy: -93.799
Base-Backbone interact. energy: -0.206
local terms energy: -112.713978
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -25.956
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -264.862279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.862279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.862279 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -87.113
Base-Backbone interact. energy: 1.077
local terms energy: -101.406803
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -21.013
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: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -211.512418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.512418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.512418 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -72.588
Base-Backbone interact. energy: -1.054
local terms energy: -92.770177
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -15.178
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: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -203.913716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.913716 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -79.717
Base-Backbone interact. energy: 1.489
local terms energy: -95.692564
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -188.475070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.475070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.475070 (E_RNA)
where:
Base-Base interactions energy: -104.402
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.575
local terms energy: -83.497799
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -218.293315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.293315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.293315 (E_RNA)
where:
Base-Base interactions energy: -122.689
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.638
local terms energy: -94.966320
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -162.870795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.870795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.870795 (E_RNA)
where:
Base-Base interactions energy: -75.333
where: short stacking energy: -73.869
Base-Backbone interact. energy: 0.591
local terms energy: -88.129333
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -14.554
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -128.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.654893 (E_RNA)
where:
Base-Base interactions energy: -60.411
where: short stacking energy: -50.567
Base-Backbone interact. energy: -0.553
local terms energy: -67.690894
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -344.509563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.509563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.509563 (E_RNA)
where:
Base-Base interactions energy: -228.311
where: short stacking energy: -118.226
Base-Backbone interact. energy: -0.196
local terms energy: -116.003170
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -315.350786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.350786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.350786 (E_RNA)
where:
Base-Base interactions energy: -207.940
where: short stacking energy: -107.458
Base-Backbone interact. energy: 1.271
local terms energy: -108.681214
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -22.604
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: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -287.980095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.980095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.980095 (E_RNA)
where:
Base-Base interactions energy: -184.156
where: short stacking energy: -89.863
Base-Backbone interact. energy: -0.818
local terms energy: -103.005985
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -257.256194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.256194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.256194 (E_RNA)
where:
Base-Base interactions energy: -156.071
where: short stacking energy: -87.025
Base-Backbone interact. energy: -0.373
local terms energy: -100.811784
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -248.999805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.999805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.999805 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -86.640
Base-Backbone interact. energy: -0.611
local terms energy: -94.115110
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -197.953754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.953754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.953754 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.360
local terms energy: -75.948709
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -15.299
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -207.297076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.297076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.297076 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.124
local terms energy: -90.397539
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -14.694
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: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -191.174365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.174365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.174365 (E_RNA)
where:
Base-Base interactions energy: -101.111
where: short stacking energy: -64.744
Base-Backbone interact. energy: 0.204
local terms energy: -90.266924
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -137.688847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.688847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.688847 (E_RNA)
where:
Base-Base interactions energy: -62.604
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.274
local terms energy: -74.810601
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -167.440726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.440726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.440726 (E_RNA)
where:
Base-Base interactions energy: -88.632
where: short stacking energy: -51.484
Base-Backbone interact. energy: -0.313
local terms energy: -78.495347
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -351.717040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.717040 (E_RNA)
where:
Base-Base interactions energy: -224.907
where: short stacking energy: -116.070
Base-Backbone interact. energy: -0.403
local terms energy: -126.406819
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -29.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -301.794431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.794431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.794431 (E_RNA)
where:
Base-Base interactions energy: -187.106
where: short stacking energy: -101.991
Base-Backbone interact. energy: -1.420
local terms energy: -113.268335
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -309.274847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.274847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.274847 (E_RNA)
where:
Base-Base interactions energy: -196.729
where: short stacking energy: -92.702
Base-Backbone interact. energy: -0.260
local terms energy: -112.285674
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -256.619067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.619067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.619067 (E_RNA)
where:
Base-Base interactions energy: -158.617
where: short stacking energy: -80.296
Base-Backbone interact. energy: 1.530
local terms energy: -99.531375
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -18.342
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: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -214.384329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384329 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -92.670
Base-Backbone interact. energy: 1.948
local terms energy: -94.391031
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -20.834
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -231.188577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.188577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.188577 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -73.155
Base-Backbone interact. energy: 0.117
local terms energy: -87.192807
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -206.382541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.382541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.382541 (E_RNA)
where:
Base-Base interactions energy: -118.684
where: short stacking energy: -74.497
Base-Backbone interact. energy: 0.671
local terms energy: -88.369696
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.425
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -188.780011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.780011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.780011 (E_RNA)
where:
Base-Base interactions energy: -110.568
where: short stacking energy: -62.809
Base-Backbone interact. energy: 0.362
local terms energy: -78.573208
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -9.435
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: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -146.776966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.776966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.776966 (E_RNA)
where:
Base-Base interactions energy: -64.987
where: short stacking energy: -54.884
Base-Backbone interact. energy: -1.295
local terms energy: -80.494945
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -127.333190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.333190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.333190 (E_RNA)
where:
Base-Base interactions energy: -55.509
where: short stacking energy: -47.352
Base-Backbone interact. energy: -0.280
local terms energy: -71.543896
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -344.183151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.183151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.183151 (E_RNA)
where:
Base-Base interactions energy: -225.551
where: short stacking energy: -108.473
Base-Backbone interact. energy: -1.018
local terms energy: -117.614423
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -24.718
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -315.408023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.408023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.408023 (E_RNA)
where:
Base-Base interactions energy: -196.813
where: short stacking energy: -111.140
Base-Backbone interact. energy: -0.457
local terms energy: -118.137436
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -28.865
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: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -308.553611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.553611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.553611 (E_RNA)
where:
Base-Base interactions energy: -207.705
where: short stacking energy: -106.471
Base-Backbone interact. energy: 0.798
local terms energy: -101.646453
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -263.338148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.338148 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -85.323
Base-Backbone interact. energy: -0.236
local terms energy: -108.956856
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -18.946
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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -238.490207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.490207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.490207 (E_RNA)
where:
Base-Base interactions energy: -154.131
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.073
local terms energy: -84.286110
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -221.454144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454144 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.231
local terms energy: -87.946071
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -15.791
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -199.702015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.702015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.702015 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -82.279
Base-Backbone interact. energy: -0.163
local terms energy: -87.656352
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -15.642
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: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -170.196911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.196911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.196911 (E_RNA)
where:
Base-Base interactions energy: -96.890
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.386
local terms energy: -72.921449
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -139.350266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.350266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.350266 (E_RNA)
where:
Base-Base interactions energy: -63.050
where: short stacking energy: -53.190
Base-Backbone interact. energy: 5.673
local terms energy: -81.973453
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -122.222879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.222879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.222879 (E_RNA)
where:
Base-Base interactions energy: -61.445
where: short stacking energy: -49.027
Base-Backbone interact. energy: -0.202
local terms energy: -60.575658
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -343.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.893491 (E_RNA)
where:
Base-Base interactions energy: -228.436
where: short stacking energy: -117.859
Base-Backbone interact. energy: -0.630
local terms energy: -114.827598
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -327.650130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.650130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.650130 (E_RNA)
where:
Base-Base interactions energy: -207.724
where: short stacking energy: -110.849
Base-Backbone interact. energy: 0.749
local terms energy: -120.675609
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -297.465334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.465334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.465334 (E_RNA)
where:
Base-Base interactions energy: -183.757
where: short stacking energy: -96.727
Base-Backbone interact. energy: -0.321
local terms energy: -113.386403
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -286.350163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.350163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.350163 (E_RNA)
where:
Base-Base interactions energy: -195.261
where: short stacking energy: -96.331
Base-Backbone interact. energy: 0.365
local terms energy: -91.453623
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -274.978133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.978133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.978133 (E_RNA)
where:
Base-Base interactions energy: -163.133
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.669
local terms energy: -111.175599
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -202.041693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041693 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.623
local terms energy: -69.166532
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -6.326
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -202.254581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.254581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.254581 (E_RNA)
where:
Base-Base interactions energy: -121.847
where: short stacking energy: -82.448
Base-Backbone interact. energy: -0.108
local terms energy: -80.299472
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -156.800152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.800152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.800152 (E_RNA)
where:
Base-Base interactions energy: -84.060
where: short stacking energy: -57.131
Base-Backbone interact. energy: 0.297
local terms energy: -73.037283
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -160.903834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.903834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.903834 (E_RNA)
where:
Base-Base interactions energy: -84.493
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.165
local terms energy: -76.245815
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -9.502
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: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -140.768600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.768600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.768600 (E_RNA)
where:
Base-Base interactions energy: -66.597
where: short stacking energy: -36.336
Base-Backbone interact. energy: -1.197
local terms energy: -72.974340
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -357.518851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.518851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.518851 (E_RNA)
where:
Base-Base interactions energy: -236.549
where: short stacking energy: -124.190
Base-Backbone interact. energy: -0.007
local terms energy: -120.963067
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -29.567
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: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -342.360551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.360551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.360551 (E_RNA)
where:
Base-Base interactions energy: -222.365
where: short stacking energy: -118.442
Base-Backbone interact. energy: -2.289
local terms energy: -117.706940
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -304.407321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.407321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.407321 (E_RNA)
where:
Base-Base interactions energy: -191.694
where: short stacking energy: -89.421
Base-Backbone interact. energy: -0.456
local terms energy: -112.257991
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -292.222906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.222906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.222906 (E_RNA)
where:
Base-Base interactions energy: -181.884
where: short stacking energy: -93.795
Base-Backbone interact. energy: -0.373
local terms energy: -109.965992
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -267.614362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.614362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.614362 (E_RNA)
where:
Base-Base interactions energy: -158.162
where: short stacking energy: -92.682
Base-Backbone interact. energy: 0.701
local terms energy: -110.153959
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -222.377146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.377146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.377146 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -80.154
Base-Backbone interact. energy: -0.173
local terms energy: -91.759937
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -192.919600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.919600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.919600 (E_RNA)
where:
Base-Base interactions energy: -105.386
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.887
local terms energy: -86.646181
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -188.424134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.424134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.424134 (E_RNA)
where:
Base-Base interactions energy: -101.372
where: short stacking energy: -70.460
Base-Backbone interact. energy: -1.297
local terms energy: -85.755228
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -184.668204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.668204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.668204 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.402
local terms energy: -86.015082
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -118.382272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.382272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.382272 (E_RNA)
where:
Base-Base interactions energy: -37.229
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.024
local terms energy: -81.129614
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -1.068
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: 41
Temperature: 0.900000
Total energy: -349.620391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.620391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.620391 (E_RNA)
where:
Base-Base interactions energy: -233.595
where: short stacking energy: -125.623
Base-Backbone interact. energy: -0.106
local terms energy: -115.920073
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -327.874764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.874764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.874764 (E_RNA)
where:
Base-Base interactions energy: -214.470
where: short stacking energy: -107.328
Base-Backbone interact. energy: -1.044
local terms energy: -112.360342
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -344.502907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.502907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.502907 (E_RNA)
where:
Base-Base interactions energy: -229.846
where: short stacking energy: -114.528
Base-Backbone interact. energy: -0.585
local terms energy: -114.071187
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -28.195
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -281.112779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.112779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.112779 (E_RNA)
where:
Base-Base interactions energy: -174.590
where: short stacking energy: -93.389
Base-Backbone interact. energy: -0.805
local terms energy: -105.718101
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -269.330774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.330774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.330774 (E_RNA)
where:
Base-Base interactions energy: -166.469
where: short stacking energy: -89.545
Base-Backbone interact. energy: -0.782
local terms energy: -102.080175
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -20.171
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: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -224.888681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.888681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.888681 (E_RNA)
where:
Base-Base interactions energy: -124.020
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.130
local terms energy: -100.738324
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -211.409155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.409155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.409155 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -88.620
Base-Backbone interact. energy: -0.307
local terms energy: -86.598291
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -192.681799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.681799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681799 (E_RNA)
where:
Base-Base interactions energy: -113.956
where: short stacking energy: -78.251
Base-Backbone interact. energy: 0.479
local terms energy: -79.205106
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -124.967774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.967774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.967774 (E_RNA)
where:
Base-Base interactions energy: -53.249
where: short stacking energy: -48.037
Base-Backbone interact. energy: -0.403
local terms energy: -71.316236
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 0.060
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: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -125.421800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.421800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.421800 (E_RNA)
where:
Base-Base interactions energy: -60.686
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.192
local terms energy: -64.543353
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -347.070468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.070468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.070468 (E_RNA)
where:
Base-Base interactions energy: -237.439
where: short stacking energy: -119.077
Base-Backbone interact. energy: -0.966
local terms energy: -108.665264
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -349.747370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.747370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.747370 (E_RNA)
where:
Base-Base interactions energy: -227.187
where: short stacking energy: -117.983
Base-Backbone interact. energy: -0.052
local terms energy: -122.507975
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -319.570281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.570281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.570281 (E_RNA)
where:
Base-Base interactions energy: -204.553
where: short stacking energy: -110.235
Base-Backbone interact. energy: 0.625
local terms energy: -115.642942
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -262.149334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.149334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.149334 (E_RNA)
where:
Base-Base interactions energy: -162.706
where: short stacking energy: -81.811
Base-Backbone interact. energy: -0.591
local terms energy: -98.851873
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -273.756536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.756536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.756536 (E_RNA)
where:
Base-Base interactions energy: -175.897
where: short stacking energy: -88.099
Base-Backbone interact. energy: -0.093
local terms energy: -97.766049
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -17.440
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: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -229.355194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.355194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.355194 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -76.562
Base-Backbone interact. energy: -1.930
local terms energy: -92.804657
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -7.808
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: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -190.372885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.372885 (E_RNA)
where:
Base-Base interactions energy: -95.351
where: short stacking energy: -67.516
Base-Backbone interact. energy: -1.154
local terms energy: -93.868560
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -181.564416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.564416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.564416 (E_RNA)
where:
Base-Base interactions energy: -114.355
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.549
local terms energy: -66.659630
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -139.544486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.544486 (E_RNA)
where:
Base-Base interactions energy: -62.552
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.447
local terms energy: -76.545330
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: 0.869
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -147.532833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.532833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.532833 (E_RNA)
where:
Base-Base interactions energy: -85.992
where: short stacking energy: -56.623
Base-Backbone interact. energy: 0.510
local terms energy: -62.050941
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -336.201853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.201853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.201853 (E_RNA)
where:
Base-Base interactions energy: -216.575
where: short stacking energy: -108.531
Base-Backbone interact. energy: -1.173
local terms energy: -118.453815
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -340.012779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.012779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.012779 (E_RNA)
where:
Base-Base interactions energy: -232.130
where: short stacking energy: -120.679
Base-Backbone interact. energy: -0.457
local terms energy: -107.425049
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -31.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -311.433861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.433861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.433861 (E_RNA)
where:
Base-Base interactions energy: -198.743
where: short stacking energy: -98.660
Base-Backbone interact. energy: 2.121
local terms energy: -114.811703
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -27.269
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: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -252.579325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.579325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.579325 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -77.529
Base-Backbone interact. energy: -0.892
local terms energy: -93.023204
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -253.412941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.412941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.412941 (E_RNA)
where:
Base-Base interactions energy: -153.346
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.852
local terms energy: -99.214624
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -13.615
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: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -225.227419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.227419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.227419 (E_RNA)
where:
Base-Base interactions energy: -129.685
where: short stacking energy: -74.649
Base-Backbone interact. energy: -0.609
local terms energy: -94.932767
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -163.345696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.345696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.345696 (E_RNA)
where:
Base-Base interactions energy: -73.454
where: short stacking energy: -64.994
Base-Backbone interact. energy: 0.604
local terms energy: -90.495766
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -140.319639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.319639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.319639 (E_RNA)
where:
Base-Base interactions energy: -57.619
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.406
local terms energy: -82.295120
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -172.309759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.309759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.309759 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.123
local terms energy: -67.822400
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -7.785
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: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -167.602426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.602426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.602426 (E_RNA)
where:
Base-Base interactions energy: -98.253
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.292
local terms energy: -69.057053
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -346.563579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.563579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.563579 (E_RNA)
where:
Base-Base interactions energy: -231.152
where: short stacking energy: -121.815
Base-Backbone interact. energy: -0.388
local terms energy: -115.023681
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -324.965166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.965166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.965166 (E_RNA)
where:
Base-Base interactions energy: -212.832
where: short stacking energy: -109.288
Base-Backbone interact. energy: -1.598
local terms energy: -110.535043
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -277.167217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.167217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.167217 (E_RNA)
where:
Base-Base interactions energy: -165.690
where: short stacking energy: -97.929
Base-Backbone interact. energy: 1.445
local terms energy: -112.922133
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -288.184186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.184186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.184186 (E_RNA)
where:
Base-Base interactions energy: -188.907
where: short stacking energy: -89.802
Base-Backbone interact. energy: -0.159
local terms energy: -99.118100
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -258.942752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.942752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.942752 (E_RNA)
where:
Base-Base interactions energy: -158.094
where: short stacking energy: -89.636
Base-Backbone interact. energy: 1.002
local terms energy: -101.850671
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -21.403
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: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -230.331726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.331726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.331726 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -82.665
Base-Backbone interact. energy: -0.228
local terms energy: -96.035092
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -15.931
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -159.662295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.662295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.662295 (E_RNA)
where:
Base-Base interactions energy: -83.608
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.932
local terms energy: -75.122502
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -187.628142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628142 (E_RNA)
where:
Base-Base interactions energy: -104.991
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.869
local terms energy: -81.768071
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -173.917538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.917538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.917538 (E_RNA)
where:
Base-Base interactions energy: -95.520
where: short stacking energy: -68.553
Base-Backbone interact. energy: -1.375
local terms energy: -77.023111
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -4.670
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: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -129.388698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.388698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.388698 (E_RNA)
where:
Base-Base interactions energy: -54.979
where: short stacking energy: -45.304
Base-Backbone interact. energy: -0.377
local terms energy: -74.032001
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -346.859647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.859647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.859647 (E_RNA)
where:
Base-Base interactions energy: -226.229
where: short stacking energy: -117.796
Base-Backbone interact. energy: -0.987
local terms energy: -119.643740
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -333.501691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.501691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.501691 (E_RNA)
where:
Base-Base interactions energy: -222.520
where: short stacking energy: -110.326
Base-Backbone interact. energy: 0.130
local terms energy: -111.112589
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -24.807
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -278.271249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.271249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.271249 (E_RNA)
where:
Base-Base interactions energy: -173.512
where: short stacking energy: -101.140
Base-Backbone interact. energy: 0.008
local terms energy: -104.767521
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -271.114000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.114000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.114000 (E_RNA)
where:
Base-Base interactions energy: -166.781
where: short stacking energy: -99.093
Base-Backbone interact. energy: -0.405
local terms energy: -103.927895
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -283.947132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.947132 (E_RNA)
where:
Base-Base interactions energy: -189.796
where: short stacking energy: -86.702
Base-Backbone interact. energy: 0.444
local terms energy: -94.595363
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -17.832
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: 45
Temperature: 1.150000
Total energy: -202.495702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.495702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.495702 (E_RNA)
where:
Base-Base interactions energy: -115.440
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.271
local terms energy: -86.784423
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -141.778864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.778864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.778864 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -51.274
Base-Backbone interact. energy: -0.214
local terms energy: -90.291108
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -8.117
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -175.005271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.005271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.005271 (E_RNA)
where:
Base-Base interactions energy: -102.617
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.409
local terms energy: -71.979346
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: 0.789
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -182.561095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.561095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.561095 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -68.869
Base-Backbone interact. energy: 0.122
local terms energy: -81.426532
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -17.195
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: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -126.958117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.958117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.958117 (E_RNA)
where:
Base-Base interactions energy: -67.374
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.257
local terms energy: -59.326557
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: 3.655
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: 46
Temperature: 0.900000
Total energy: -355.475318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.475318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.475318 (E_RNA)
where:
Base-Base interactions energy: -229.109
where: short stacking energy: -116.606
Base-Backbone interact. energy: -0.943
local terms energy: -125.423766
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -31.392
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -335.878135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.878135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.878135 (E_RNA)
where:
Base-Base interactions energy: -226.194
where: short stacking energy: -114.024
Base-Backbone interact. energy: -0.715
local terms energy: -108.969873
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -275.789366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.789366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.789366 (E_RNA)
where:
Base-Base interactions energy: -167.921
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.012
local terms energy: -107.857138
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -17.672
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: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -269.666699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.666699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.666699 (E_RNA)
where:
Base-Base interactions energy: -172.926
where: short stacking energy: -88.928
Base-Backbone interact. energy: -0.840
local terms energy: -95.900520
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -290.465947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.465947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.465947 (E_RNA)
where:
Base-Base interactions energy: -196.097
where: short stacking energy: -93.504
Base-Backbone interact. energy: -0.106
local terms energy: -94.263802
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -18.997
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -218.677487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677487 (E_RNA)
where:
Base-Base interactions energy: -127.242
where: short stacking energy: -76.655
Base-Backbone interact. energy: -1.001
local terms energy: -90.434287
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -13.382
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: 46
Temperature: 1.200000
Total energy: -171.786511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.786511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.786511 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.390
local terms energy: -74.956956
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -207.151432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.151432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.151432 (E_RNA)
where:
Base-Base interactions energy: -128.624
where: short stacking energy: -74.200
Base-Backbone interact. energy: -0.324
local terms energy: -78.204104
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -13.726
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: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -129.919463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.919463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.919463 (E_RNA)
where:
Base-Base interactions energy: -58.964
where: short stacking energy: -55.484
Base-Backbone interact. energy: -1.050
local terms energy: -69.905544
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -157.950465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.950465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.950465 (E_RNA)
where:
Base-Base interactions energy: -81.373
where: short stacking energy: -48.768
Base-Backbone interact. energy: -1.314
local terms energy: -75.263031
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -8.263
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: 47
Temperature: 0.900000
Total energy: -354.663269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.663269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.663269 (E_RNA)
where:
Base-Base interactions energy: -230.756
where: short stacking energy: -122.918
Base-Backbone interact. energy: -1.300
local terms energy: -122.607255
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -35.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -328.910555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.910555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.910555 (E_RNA)
where:
Base-Base interactions energy: -213.663
where: short stacking energy: -105.711
Base-Backbone interact. energy: -0.937
local terms energy: -114.310471
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -25.477
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: 47
Temperature: 1.000000
Total energy: -287.418511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.418511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.418511 (E_RNA)
where:
Base-Base interactions energy: -181.175
where: short stacking energy: -102.133
Base-Backbone interact. energy: -0.005
local terms energy: -106.238692
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -299.555287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.555287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.555287 (E_RNA)
where:
Base-Base interactions energy: -191.485
where: short stacking energy: -95.584
Base-Backbone interact. energy: -0.588
local terms energy: -107.482085
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -25.470
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -19.609
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: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -268.880502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.880502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.880502 (E_RNA)
where:
Base-Base interactions energy: -167.816
where: short stacking energy: -96.494
Base-Backbone interact. energy: -0.118
local terms energy: -100.946818
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -211.513701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.513701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.513701 (E_RNA)
where:
Base-Base interactions energy: -118.314
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.790
local terms energy: -92.409728
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -191.701746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.701746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.701746 (E_RNA)
where:
Base-Base interactions energy: -105.103
where: short stacking energy: -74.724
Base-Backbone interact. energy: 0.931
local terms energy: -87.530555
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -13.283
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -196.194682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.194682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.194682 (E_RNA)
where:
Base-Base interactions energy: -111.434
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.168
local terms energy: -84.592707
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -130.588707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.588707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.588707 (E_RNA)
where:
Base-Base interactions energy: -58.382
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.282
local terms energy: -71.924516
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -153.867999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.867999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.867999 (E_RNA)
where:
Base-Base interactions energy: -74.579
where: short stacking energy: -44.208
Base-Backbone interact. energy: -2.103
local terms energy: -77.185436
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -364.864342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.864342 (E_RNA)
where:
Base-Base interactions energy: -246.015
where: short stacking energy: -123.079
Base-Backbone interact. energy: -0.684
local terms energy: -118.165271
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -35.920
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: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -334.418474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.418474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.418474 (E_RNA)
where:
Base-Base interactions energy: -221.332
where: short stacking energy: -110.225
Base-Backbone interact. energy: -0.108
local terms energy: -112.978307
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -27.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -288.867758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.867758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.867758 (E_RNA)
where:
Base-Base interactions energy: -188.016
where: short stacking energy: -100.530
Base-Backbone interact. energy: -0.292
local terms energy: -100.559628
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -24.005
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: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -275.372124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372124 (E_RNA)
where:
Base-Base interactions energy: -162.908
where: short stacking energy: -88.035
Base-Backbone interact. energy: -0.119
local terms energy: -112.345386
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -256.602149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602149 (E_RNA)
where:
Base-Base interactions energy: -158.088
where: short stacking energy: -82.932
Base-Backbone interact. energy: -0.886
local terms energy: -97.628281
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -236.930145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.930145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.930145 (E_RNA)
where:
Base-Base interactions energy: -143.721
where: short stacking energy: -79.976
Base-Backbone interact. energy: -0.195
local terms energy: -93.014185
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -216.724121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.724121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.724121 (E_RNA)
where:
Base-Base interactions energy: -137.050
where: short stacking energy: -74.423
Base-Backbone interact. energy: -0.073
local terms energy: -79.601653
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -6.119
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -149.999225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.999225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.999225 (E_RNA)
where:
Base-Base interactions energy: -69.935
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.753
local terms energy: -79.310599
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -6.662
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: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -231.202700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.202700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.202700 (E_RNA)
where:
Base-Base interactions energy: -137.663
where: short stacking energy: -80.096
Base-Backbone interact. energy: -0.037
local terms energy: -93.502786
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -115.236003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.236003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.236003 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.205
local terms energy: -70.693308
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -1.005
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: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -358.487980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.487980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.487980 (E_RNA)
where:
Base-Base interactions energy: -237.361
where: short stacking energy: -123.524
Base-Backbone interact. energy: -1.232
local terms energy: -119.894747
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -33.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -329.163022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.163022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.163022 (E_RNA)
where:
Base-Base interactions energy: -222.077
where: short stacking energy: -117.422
Base-Backbone interact. energy: -0.919
local terms energy: -106.167504
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -290.101021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.101021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.101021 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -90.935
Base-Backbone interact. energy: -0.463
local terms energy: -94.041028
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -18.027
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: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -288.776695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.776695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.776695 (E_RNA)
where:
Base-Base interactions energy: -183.975
where: short stacking energy: -103.911
Base-Backbone interact. energy: -1.145
local terms energy: -103.656957
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -27.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -237.098890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.098890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.098890 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -68.926
Base-Backbone interact. energy: -1.241
local terms energy: -88.490114
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -14.689
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: 49
Temperature: 1.150000
Total energy: -243.277240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.277240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.277240 (E_RNA)
where:
Base-Base interactions energy: -143.548
where: short stacking energy: -81.751
Base-Backbone interact. energy: -0.552
local terms energy: -99.177257
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -194.609436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609436 (E_RNA)
where:
Base-Base interactions energy: -108.762
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.261
local terms energy: -85.586440
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -7.120
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: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -201.009052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.009052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.009052 (E_RNA)
where:
Base-Base interactions energy: -120.189
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.624
local terms energy: -80.196722
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -145.127082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.127082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.127082 (E_RNA)
where:
Base-Base interactions energy: -68.878
where: short stacking energy: -60.794
Base-Backbone interact. energy: 0.722
local terms energy: -76.971384
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -7.855
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: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -134.417348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.417348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.417348 (E_RNA)
where:
Base-Base interactions energy: -51.074
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.195
local terms energy: -83.148694
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -15.145
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: 50
Temperature: 0.900000
Total energy: -355.903349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.903349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.903349 (E_RNA)
where:
Base-Base interactions energy: -234.406
where: short stacking energy: -123.572
Base-Backbone interact. energy: -1.126
local terms energy: -120.371195
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -335.906215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.906215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.906215 (E_RNA)
where:
Base-Base interactions energy: -222.813
where: short stacking energy: -120.569
Base-Backbone interact. energy: -0.530
local terms energy: -112.563455
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -297.920838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.920838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.920838 (E_RNA)
where:
Base-Base interactions energy: -190.717
where: short stacking energy: -100.745
Base-Backbone interact. energy: -2.297
local terms energy: -104.906363
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -22.709
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -269.877368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.877368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.877368 (E_RNA)
where:
Base-Base interactions energy: -172.526
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.150
local terms energy: -97.201303
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -23.165
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: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -278.852736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.852736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.852736 (E_RNA)
where:
Base-Base interactions energy: -190.263
where: short stacking energy: -108.583
Base-Backbone interact. energy: -0.663
local terms energy: -87.927138
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -230.273429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.273429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.273429 (E_RNA)
where:
Base-Base interactions energy: -143.840
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.071
local terms energy: -86.362551
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.802
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: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -195.929474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.929474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.929474 (E_RNA)
where:
Base-Base interactions energy: -106.982
where: short stacking energy: -66.173
Base-Backbone interact. energy: -0.130
local terms energy: -88.817790
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -192.458285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.458285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.458285 (E_RNA)
where:
Base-Base interactions energy: -100.195
where: short stacking energy: -65.618
Base-Backbone interact. energy: 0.914
local terms energy: -93.176992
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -140.828398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.828398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.828398 (E_RNA)
where:
Base-Base interactions energy: -63.059
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.272
local terms energy: -77.497131
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -14.076
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: 50
Temperature: 1.350000
Total energy: -123.147073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.147073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.147073 (E_RNA)
where:
Base-Base interactions energy: -53.739
where: short stacking energy: -51.337
Base-Backbone interact. energy: -0.646
local terms energy: -68.762154
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: 1.794
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: 51
Temperature: 0.900000
Total energy: -353.849287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.849287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.849287 (E_RNA)
where:
Base-Base interactions energy: -230.388
where: short stacking energy: -123.266
Base-Backbone interact. energy: -1.423
local terms energy: -122.037357
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -306.350861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.350861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.350861 (E_RNA)
where:
Base-Base interactions energy: -188.739
where: short stacking energy: -100.607
Base-Backbone interact. energy: -0.042
local terms energy: -117.569933
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -27.766
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: 51
Temperature: 1.000000
Total energy: -283.982837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.982837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.982837 (E_RNA)
where:
Base-Base interactions energy: -178.074
where: short stacking energy: -89.415
Base-Backbone interact. energy: -0.189
local terms energy: -105.719647
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -262.691450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.691450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.691450 (E_RNA)
where:
Base-Base interactions energy: -167.752
where: short stacking energy: -97.908
Base-Backbone interact. energy: -0.185
local terms energy: -94.754075
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -15.200
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: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -265.246933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.246933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.246933 (E_RNA)
where:
Base-Base interactions energy: -164.963
where: short stacking energy: -96.752
Base-Backbone interact. energy: -0.112
local terms energy: -100.171787
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -19.273
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: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -243.679312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.679312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.679312 (E_RNA)
where:
Base-Base interactions energy: -158.081
where: short stacking energy: -76.623
Base-Backbone interact. energy: -1.068
local terms energy: -84.529968
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -215.147458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147458 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.068
local terms energy: -97.596553
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -196.270097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.270097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.270097 (E_RNA)
where:
Base-Base interactions energy: -120.958
where: short stacking energy: -85.883
Base-Backbone interact. energy: 1.521
local terms energy: -76.832303
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.347
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: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -142.290369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.290369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290369 (E_RNA)
where:
Base-Base interactions energy: -56.519
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.110
local terms energy: -85.661711
where:
bonds (distance) C4'-P energy: -24.344
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -7.086
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: 51
Temperature: 1.350000
Total energy: -123.238479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.238479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.238479 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -39.758
Base-Backbone interact. energy: -0.171
local terms energy: -79.291283
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -351.061693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.061693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.061693 (E_RNA)
where:
Base-Base interactions energy: -234.704
where: short stacking energy: -123.077
Base-Backbone interact. energy: -1.019
local terms energy: -115.339095
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -30.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -321.805418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.805418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.805418 (E_RNA)
where:
Base-Base interactions energy: -205.962
where: short stacking energy: -109.386
Base-Backbone interact. energy: 0.361
local terms energy: -116.204200
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -25.896
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: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -292.482875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.482875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.482875 (E_RNA)
where:
Base-Base interactions energy: -188.423
where: short stacking energy: -98.159
Base-Backbone interact. energy: -0.443
local terms energy: -103.617077
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -275.821677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.821677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.821677 (E_RNA)
where:
Base-Base interactions energy: -171.975
where: short stacking energy: -98.564
Base-Backbone interact. energy: -0.082
local terms energy: -103.764897
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -284.083635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.083635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.083635 (E_RNA)
where:
Base-Base interactions energy: -185.879
where: short stacking energy: -92.033
Base-Backbone interact. energy: -0.058
local terms energy: -98.147303
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -246.347049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.347049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.347049 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.078
local terms energy: -98.444137
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -23.076
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: 52
Temperature: 1.200000
Total energy: -240.941410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.941410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.941410 (E_RNA)
where:
Base-Base interactions energy: -151.889
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.194
local terms energy: -88.857951
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -208.830461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830461 (E_RNA)
where:
Base-Base interactions energy: -118.782
where: short stacking energy: -80.801
Base-Backbone interact. energy: -0.356
local terms energy: -89.692758
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -18.769
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -145.985202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.985202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.985202 (E_RNA)
where:
Base-Base interactions energy: -68.047
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.417
local terms energy: -77.520550
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -143.509085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.509085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.509085 (E_RNA)
where:
Base-Base interactions energy: -63.572
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.113
local terms energy: -79.824317
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -340.931490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.931490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.931490 (E_RNA)
where:
Base-Base interactions energy: -228.844
where: short stacking energy: -120.804
Base-Backbone interact. energy: -0.335
local terms energy: -111.752686
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -27.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -314.073785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.073785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.073785 (E_RNA)
where:
Base-Base interactions energy: -206.281
where: short stacking energy: -109.719
Base-Backbone interact. energy: -0.136
local terms energy: -107.656483
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -27.511
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: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -304.350718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.350718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.350718 (E_RNA)
where:
Base-Base interactions energy: -201.831
where: short stacking energy: -106.565
Base-Backbone interact. energy: -0.204
local terms energy: -102.315662
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -286.182652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.182652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.182652 (E_RNA)
where:
Base-Base interactions energy: -192.544
where: short stacking energy: -92.818
Base-Backbone interact. energy: -0.366
local terms energy: -93.272925
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -20.489
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -271.794179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.794179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.794179 (E_RNA)
where:
Base-Base interactions energy: -172.061
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.407
local terms energy: -99.325665
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -20.495
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -246.766615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.766615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.766615 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -83.851
Base-Backbone interact. energy: -0.768
local terms energy: -85.201409
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -11.309
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: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -255.762723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.762723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.762723 (E_RNA)
where:
Base-Base interactions energy: -164.082
where: short stacking energy: -84.776
Base-Backbone interact. energy: -0.286
local terms energy: -91.394814
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -204.034686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.034686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.034686 (E_RNA)
where:
Base-Base interactions energy: -118.389
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.079
local terms energy: -85.566955
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -169.687194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.687194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.687194 (E_RNA)
where:
Base-Base interactions energy: -78.816
where: short stacking energy: -47.275
Base-Backbone interact. energy: -0.369
local terms energy: -90.502726
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -153.324640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.324640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.324640 (E_RNA)
where:
Base-Base interactions energy: -79.398
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.411
local terms energy: -73.515537
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -344.600828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.600828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.600828 (E_RNA)
where:
Base-Base interactions energy: -230.442
where: short stacking energy: -104.974
Base-Backbone interact. energy: -1.035
local terms energy: -113.123960
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -31.075
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -340.459277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.459277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.459277 (E_RNA)
where:
Base-Base interactions energy: -223.713
where: short stacking energy: -106.397
Base-Backbone interact. energy: -1.441
local terms energy: -115.305687
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -24.687
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: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -300.855097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.855097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.855097 (E_RNA)
where:
Base-Base interactions energy: -186.342
where: short stacking energy: -99.391
Base-Backbone interact. energy: -1.207
local terms energy: -113.306430
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -26.116
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -319.848086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.848086 (E_RNA)
where:
Base-Base interactions energy: -212.326
where: short stacking energy: -112.443
Base-Backbone interact. energy: -0.742
local terms energy: -106.780078
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -33.313
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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -249.508435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.508435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.508435 (E_RNA)
where:
Base-Base interactions energy: -145.335
where: short stacking energy: -88.081
Base-Backbone interact. energy: -0.037
local terms energy: -104.136249
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -252.493925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.493925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.493925 (E_RNA)
where:
Base-Base interactions energy: -146.252
where: short stacking energy: -82.041
Base-Backbone interact. energy: -0.074
local terms energy: -106.167818
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -210.738280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.738280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.738280 (E_RNA)
where:
Base-Base interactions energy: -131.002
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.807
local terms energy: -78.929063
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -255.303651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.303651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.303651 (E_RNA)
where:
Base-Base interactions energy: -165.051
where: short stacking energy: -72.529
Base-Backbone interact. energy: -0.120
local terms energy: -90.133005
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -135.749268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.749268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.749268 (E_RNA)
where:
Base-Base interactions energy: -59.008
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.358
local terms energy: -76.383387
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -10.527
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: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -141.874223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.874223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.874223 (E_RNA)
where:
Base-Base interactions energy: -69.190
where: short stacking energy: -45.861
Base-Backbone interact. energy: -0.223
local terms energy: -72.461612
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -332.624597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.624597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.624597 (E_RNA)
where:
Base-Base interactions energy: -225.527
where: short stacking energy: -103.151
Base-Backbone interact. energy: -0.024
local terms energy: -107.073801
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -26.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -338.318902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.318902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.318902 (E_RNA)
where:
Base-Base interactions energy: -222.484
where: short stacking energy: -113.828
Base-Backbone interact. energy: -0.050
local terms energy: -115.784845
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -29.361
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: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -322.893963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.893963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.893963 (E_RNA)
where:
Base-Base interactions energy: -212.919
where: short stacking energy: -107.889
Base-Backbone interact. energy: -0.701
local terms energy: -109.273750
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -17.115
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -283.141112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.141112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.141112 (E_RNA)
where:
Base-Base interactions energy: -169.156
where: short stacking energy: -103.255
Base-Backbone interact. energy: -2.333
local terms energy: -111.652693
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -281.494150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.494150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.494150 (E_RNA)
where:
Base-Base interactions energy: -196.680
where: short stacking energy: -96.183
Base-Backbone interact. energy: -0.751
local terms energy: -84.063236
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -0.865
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -239.200352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.200352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.200352 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -75.619
Base-Backbone interact. energy: 1.248
local terms energy: -92.489684
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -17.776
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -253.147233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.147233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.147233 (E_RNA)
where:
Base-Base interactions energy: -163.856
where: short stacking energy: -93.799
Base-Backbone interact. energy: -0.184
local terms energy: -89.107556
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -257.195192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.195192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.195192 (E_RNA)
where:
Base-Base interactions energy: -169.670
where: short stacking energy: -78.925
Base-Backbone interact. energy: 0.225
local terms energy: -87.750667
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -149.659183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.659183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.659183 (E_RNA)
where:
Base-Base interactions energy: -75.712
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.624
local terms energy: -73.322864
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -5.598
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: 55
Temperature: 1.350000
Total energy: -121.138311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.138311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.138311 (E_RNA)
where:
Base-Base interactions energy: -46.677
where: short stacking energy: -46.677
Base-Backbone interact. energy: -0.269
local terms energy: -74.192750
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -345.050749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.050749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.050749 (E_RNA)
where:
Base-Base interactions energy: -229.690
where: short stacking energy: -106.632
Base-Backbone interact. energy: -0.053
local terms energy: -115.307270
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -25.030
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: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -338.153077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.153077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.153077 (E_RNA)
where:
Base-Base interactions energy: -215.833
where: short stacking energy: -116.059
Base-Backbone interact. energy: -0.372
local terms energy: -121.948021
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -30.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -326.380821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.380821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.380821 (E_RNA)
where:
Base-Base interactions energy: -217.580
where: short stacking energy: -98.678
Base-Backbone interact. energy: -0.627
local terms energy: -108.173536
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -23.911
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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -266.690655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.690655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.690655 (E_RNA)
where:
Base-Base interactions energy: -165.877
where: short stacking energy: -90.411
Base-Backbone interact. energy: -0.121
local terms energy: -100.692318
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -288.604933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.604933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.604933 (E_RNA)
where:
Base-Base interactions energy: -186.359
where: short stacking energy: -98.562
Base-Backbone interact. energy: -0.698
local terms energy: -101.548365
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -247.772636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.772636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.772636 (E_RNA)
where:
Base-Base interactions energy: -147.622
where: short stacking energy: -85.692
Base-Backbone interact. energy: -0.028
local terms energy: -100.121829
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -156.730922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.730922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.730922 (E_RNA)
where:
Base-Base interactions energy: -90.837
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.426
local terms energy: -65.468424
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -227.649232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.649232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649232 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -79.761
Base-Backbone interact. energy: -1.248
local terms energy: -81.611520
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -128.025576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.025576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.025576 (E_RNA)
where:
Base-Base interactions energy: -62.927
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.460
local terms energy: -64.637693
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -123.618581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.618581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.618581 (E_RNA)
where:
Base-Base interactions energy: -36.615
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.246
local terms energy: -86.757755
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -1.277
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: 57
Temperature: 0.900000
Total energy: -345.952572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.952572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.952572 (E_RNA)
where:
Base-Base interactions energy: -225.834
where: short stacking energy: -115.636
Base-Backbone interact. energy: -0.700
local terms energy: -119.419033
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -332.994279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.994279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.994279 (E_RNA)
where:
Base-Base interactions energy: -215.173
where: short stacking energy: -107.882
Base-Backbone interact. energy: -0.385
local terms energy: -117.436847
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -27.030
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: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -329.613535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.613535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.613535 (E_RNA)
where:
Base-Base interactions energy: -209.831
where: short stacking energy: -111.656
Base-Backbone interact. energy: -1.666
local terms energy: -118.116169
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -33.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -284.358437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358437 (E_RNA)
where:
Base-Base interactions energy: -187.255
where: short stacking energy: -91.450
Base-Backbone interact. energy: -0.649
local terms energy: -96.454447
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -262.394707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.394707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.394707 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -85.010
Base-Backbone interact. energy: 0.283
local terms energy: -100.612530
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -19.660
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: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -270.157293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.157293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.157293 (E_RNA)
where:
Base-Base interactions energy: -169.401
where: short stacking energy: -87.318
Base-Backbone interact. energy: -0.489
local terms energy: -100.267319
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -161.792926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.792926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.792926 (E_RNA)
where:
Base-Base interactions energy: -78.612
where: short stacking energy: -56.682
Base-Backbone interact. energy: -0.840
local terms energy: -82.341488
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -6.446
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -225.478588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.478588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.478588 (E_RNA)
where:
Base-Base interactions energy: -129.847
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.859
local terms energy: -94.772698
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -130.174048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.174048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.174048 (E_RNA)
where:
Base-Base interactions energy: -58.567
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.213
local terms energy: -71.393951
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -118.374749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.374749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.374749 (E_RNA)
where:
Base-Base interactions energy: -49.327
where: short stacking energy: -47.524
Base-Backbone interact. energy: -0.122
local terms energy: -68.925254
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -1.637
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -349.368473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.368473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.368473 (E_RNA)
where:
Base-Base interactions energy: -233.199
where: short stacking energy: -124.380
Base-Backbone interact. energy: -0.612
local terms energy: -115.557352
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -28.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -345.796053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.796053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.796053 (E_RNA)
where:
Base-Base interactions energy: -226.732
where: short stacking energy: -123.539
Base-Backbone interact. energy: -0.625
local terms energy: -118.439712
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -30.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -335.229859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.229859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.229859 (E_RNA)
where:
Base-Base interactions energy: -213.456
where: short stacking energy: -109.135
Base-Backbone interact. energy: -0.680
local terms energy: -121.093849
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -30.746
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: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -291.279415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.279415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.279415 (E_RNA)
where:
Base-Base interactions energy: -182.966
where: short stacking energy: -98.856
Base-Backbone interact. energy: -0.811
local terms energy: -107.502643
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -18.436
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: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -270.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.031300 (E_RNA)
where:
Base-Base interactions energy: -169.267
where: short stacking energy: -104.598
Base-Backbone interact. energy: -0.505
local terms energy: -100.259213
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -253.413272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.413272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.413272 (E_RNA)
where:
Base-Base interactions energy: -170.469
where: short stacking energy: -92.035
Base-Backbone interact. energy: 1.441
local terms energy: -84.385441
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -254.997430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.997430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.997430 (E_RNA)
where:
Base-Base interactions energy: -157.415
where: short stacking energy: -91.833
Base-Backbone interact. energy: -0.179
local terms energy: -97.403180
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -142.964567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.964567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.964567 (E_RNA)
where:
Base-Base interactions energy: -60.465
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.565
local terms energy: -81.934021
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -6.688
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: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -134.914640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.914640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.914640 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.415
local terms energy: -78.072322
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -13.487
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: 58
Temperature: 1.350000
Total energy: -134.037822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.037822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.037822 (E_RNA)
where:
Base-Base interactions energy: -59.136
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.205
local terms energy: -74.695954
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -346.281966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.281966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.281966 (E_RNA)
where:
Base-Base interactions energy: -227.769
where: short stacking energy: -116.477
Base-Backbone interact. energy: 0.084
local terms energy: -118.596568
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -29.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -349.917344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.917344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.917344 (E_RNA)
where:
Base-Base interactions energy: -235.866
where: short stacking energy: -122.932
Base-Backbone interact. energy: 0.382
local terms energy: -114.433839
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -28.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -320.393094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.393094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.393094 (E_RNA)
where:
Base-Base interactions energy: -218.884
where: short stacking energy: -104.223
Base-Backbone interact. energy: -0.089
local terms energy: -101.420610
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -23.947
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: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -304.361014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.361014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.361014 (E_RNA)
where:
Base-Base interactions energy: -193.988
where: short stacking energy: -107.656
Base-Backbone interact. energy: -0.022
local terms energy: -110.351082
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -25.298
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: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -287.059927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.059927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.059927 (E_RNA)
where:
Base-Base interactions energy: -187.256
where: short stacking energy: -92.211
Base-Backbone interact. energy: -0.085
local terms energy: -99.719071
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -20.286
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -235.193366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.193366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.193366 (E_RNA)
where:
Base-Base interactions energy: -141.225
where: short stacking energy: -73.246
Base-Backbone interact. energy: -0.755
local terms energy: -93.213534
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -218.546667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.546667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.546667 (E_RNA)
where:
Base-Base interactions energy: -136.521
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.092
local terms energy: -81.934081
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -11.779
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: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -165.890584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.890584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.890584 (E_RNA)
where:
Base-Base interactions energy: -77.508
where: short stacking energy: -73.114
Base-Backbone interact. energy: -0.140
local terms energy: -88.243156
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -129.553126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.553126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.553126 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.226
local terms energy: -79.491010
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -8.840
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: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -124.859661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.859661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.859661 (E_RNA)
where:
Base-Base interactions energy: -60.028
where: short stacking energy: -45.907
Base-Backbone interact. energy: -1.017
local terms energy: -63.814336
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -5.774
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: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -359.257801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.257801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.257801 (E_RNA)
where:
Base-Base interactions energy: -240.985
where: short stacking energy: -115.692
Base-Backbone interact. energy: 0.231
local terms energy: -118.503507
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -31.524
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: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -343.880659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.880659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.880659 (E_RNA)
where:
Base-Base interactions energy: -231.770
where: short stacking energy: -118.160
Base-Backbone interact. energy: -0.270
local terms energy: -111.840908
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -25.595
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -337.704020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.704020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.704020 (E_RNA)
where:
Base-Base interactions energy: -216.351
where: short stacking energy: -107.615
Base-Backbone interact. energy: -0.692
local terms energy: -120.660683
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -29.915
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: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -289.434663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.434663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.434663 (E_RNA)
where:
Base-Base interactions energy: -183.799
where: short stacking energy: -105.209
Base-Backbone interact. energy: 0.045
local terms energy: -105.680073
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -276.659118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.659118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.659118 (E_RNA)
where:
Base-Base interactions energy: -191.145
where: short stacking energy: -85.228
Base-Backbone interact. energy: 0.891
local terms energy: -86.404614
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -222.694128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.694128 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -74.432
Base-Backbone interact. energy: 0.099
local terms energy: -94.325826
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -13.821
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: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -166.119312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.119312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.119312 (E_RNA)
where:
Base-Base interactions energy: -82.584
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.234
local terms energy: -83.301715
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -18.804
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: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -206.714549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.714549 (E_RNA)
where:
Base-Base interactions energy: -129.504
where: short stacking energy: -70.650
Base-Backbone interact. energy: -1.334
local terms energy: -75.876611
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -147.979393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.979393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.979393 (E_RNA)
where:
Base-Base interactions energy: -64.630
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.696
local terms energy: -82.653455
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -134.604409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.604409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.604409 (E_RNA)
where:
Base-Base interactions energy: -59.096
where: short stacking energy: -59.096
Base-Backbone interact. energy: 1.634
local terms energy: -77.142571
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -355.104255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.104255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.104255 (E_RNA)
where:
Base-Base interactions energy: -237.464
where: short stacking energy: -109.246
Base-Backbone interact. energy: -0.197
local terms energy: -117.442694
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -332.914035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.914035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.914035 (E_RNA)
where:
Base-Base interactions energy: -221.968
where: short stacking energy: -108.514
Base-Backbone interact. energy: 0.947
local terms energy: -111.892136
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -319.671129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.671129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.671129 (E_RNA)
where:
Base-Base interactions energy: -205.098
where: short stacking energy: -101.703
Base-Backbone interact. energy: -0.361
local terms energy: -114.212806
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -24.318
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: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -307.666733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.666733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.666733 (E_RNA)
where:
Base-Base interactions energy: -196.852
where: short stacking energy: -112.311
Base-Backbone interact. energy: -0.435
local terms energy: -110.380098
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -27.905
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: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -299.974196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.974196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.974196 (E_RNA)
where:
Base-Base interactions energy: -192.009
where: short stacking energy: -100.928
Base-Backbone interact. energy: -0.508
local terms energy: -107.456459
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -27.449
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -242.156870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.156870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.156870 (E_RNA)
where:
Base-Base interactions energy: -140.080
where: short stacking energy: -95.665
Base-Backbone interact. energy: -2.838
local terms energy: -99.239217
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -20.437
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: 61
Temperature: 1.200000
Total energy: -149.988685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.988685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.988685 (E_RNA)
where:
Base-Base interactions energy: -62.382
where: short stacking energy: -52.429
Base-Backbone interact. energy: -0.755
local terms energy: -86.851183
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -10.648
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: 61
Temperature: 1.250000
Total energy: -166.807325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.807325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.807325 (E_RNA)
where:
Base-Base interactions energy: -88.734
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.183
local terms energy: -77.890294
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -4.864
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: 61
Temperature: 1.300000
Total energy: -135.237173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.237173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.237173 (E_RNA)
where:
Base-Base interactions energy: -56.934
where: short stacking energy: -34.042
Base-Backbone interact. energy: -0.110
local terms energy: -78.193393
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -135.913736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.913736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.913736 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -53.668
Base-Backbone interact. energy: 2.028
local terms energy: -84.273666
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -348.263258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.263258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.263258 (E_RNA)
where:
Base-Base interactions energy: -224.599
where: short stacking energy: -120.346
Base-Backbone interact. energy: -0.014
local terms energy: -123.649970
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -340.468494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.468494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.468494 (E_RNA)
where:
Base-Base interactions energy: -221.467
where: short stacking energy: -107.729
Base-Backbone interact. energy: 0.341
local terms energy: -119.342359
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -309.320777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.320777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.320777 (E_RNA)
where:
Base-Base interactions energy: -200.107
where: short stacking energy: -105.195
Base-Backbone interact. energy: -0.092
local terms energy: -109.122417
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -24.775
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -316.834037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.834037 (E_RNA)
where:
Base-Base interactions energy: -200.842
where: short stacking energy: -108.799
Base-Backbone interact. energy: -1.995
local terms energy: -113.997137
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -31.065
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: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -308.522938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.522938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.522938 (E_RNA)
where:
Base-Base interactions energy: -194.810
where: short stacking energy: -96.303
Base-Backbone interact. energy: -0.206
local terms energy: -113.506689
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -26.388
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: 62
Temperature: 1.150000
Total energy: -235.802397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.802397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.802397 (E_RNA)
where:
Base-Base interactions energy: -138.126
where: short stacking energy: -79.002
Base-Backbone interact. energy: -1.318
local terms energy: -96.358350
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -170.436596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.436596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.436596 (E_RNA)
where:
Base-Base interactions energy: -77.455
where: short stacking energy: -77.455
Base-Backbone interact. energy: -0.390
local terms energy: -92.591466
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -15.039
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -139.707163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.707163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.707163 (E_RNA)
where:
Base-Base interactions energy: -67.547
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.039
local terms energy: -72.121094
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -132.467572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.467572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.467572 (E_RNA)
where:
Base-Base interactions energy: -52.074
where: short stacking energy: -45.647
Base-Backbone interact. energy: 0.027
local terms energy: -80.420646
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -4.349
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: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -122.063088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.063088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.063088 (E_RNA)
where:
Base-Base interactions energy: -53.242
where: short stacking energy: -49.070
Base-Backbone interact. energy: 4.925
local terms energy: -73.746030
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -338.086744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.086744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.086744 (E_RNA)
where:
Base-Base interactions energy: -220.676
where: short stacking energy: -113.250
Base-Backbone interact. energy: -0.185
local terms energy: -117.226095
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -26.986
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: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -322.187190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.187190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.187190 (E_RNA)
where:
Base-Base interactions energy: -198.384
where: short stacking energy: -109.162
Base-Backbone interact. energy: -0.043
local terms energy: -123.760308
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -338.828451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.828451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.828451 (E_RNA)
where:
Base-Base interactions energy: -218.555
where: short stacking energy: -102.619
Base-Backbone interact. energy: -0.590
local terms energy: -119.683615
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -30.026
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: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -322.897632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.897632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.897632 (E_RNA)
where:
Base-Base interactions energy: -217.256
where: short stacking energy: -110.065
Base-Backbone interact. energy: -1.312
local terms energy: -104.329222
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -30.556
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -306.361267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.361267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.361267 (E_RNA)
where:
Base-Base interactions energy: -197.179
where: short stacking energy: -109.787
Base-Backbone interact. energy: -0.010
local terms energy: -109.172565
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -28.248
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: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -173.974655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.974655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.974655 (E_RNA)
where:
Base-Base interactions energy: -87.992
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.499
local terms energy: -85.483669
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -244.875681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.875681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875681 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -82.845
Base-Backbone interact. energy: -0.056
local terms energy: -97.755923
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -147.557466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.557466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.557466 (E_RNA)
where:
Base-Base interactions energy: -76.075
where: short stacking energy: -64.181
Base-Backbone interact. energy: -0.165
local terms energy: -71.317387
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -2.378
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: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -137.614551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.614551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.614551 (E_RNA)
where:
Base-Base interactions energy: -61.941
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.794
local terms energy: -74.879790
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -8.330
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: 63
Temperature: 1.350000
Total energy: -124.197963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.197963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.197963 (E_RNA)
where:
Base-Base interactions energy: -57.535
where: short stacking energy: -46.072
Base-Backbone interact. energy: -0.452
local terms energy: -66.211201
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -3.589
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: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -347.836350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.836350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.836350 (E_RNA)
where:
Base-Base interactions energy: -231.259
where: short stacking energy: -115.854
Base-Backbone interact. energy: -1.873
local terms energy: -114.704295
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -26.965
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -316.769144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.769144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.769144 (E_RNA)
where:
Base-Base interactions energy: -210.268
where: short stacking energy: -107.922
Base-Backbone interact. energy: -0.182
local terms energy: -106.318724
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -327.580911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.580911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.580911 (E_RNA)
where:
Base-Base interactions energy: -219.817
where: short stacking energy: -103.579
Base-Backbone interact. energy: 0.558
local terms energy: -108.321986
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -303.148470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.148470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.148470 (E_RNA)
where:
Base-Base interactions energy: -196.416
where: short stacking energy: -110.909
Base-Backbone interact. energy: -1.958
local terms energy: -104.773713
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -27.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -317.010857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.010857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.010857 (E_RNA)
where:
Base-Base interactions energy: -212.346
where: short stacking energy: -115.409
Base-Backbone interact. energy: -0.835
local terms energy: -103.829180
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -29.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -175.935921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.935921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.935921 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.071
local terms energy: -103.411968
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -239.443103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.443103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.443103 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -88.180
Base-Backbone interact. energy: -0.133
local terms energy: -101.035778
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -19.448
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: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -151.246873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.246873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.246873 (E_RNA)
where:
Base-Base interactions energy: -66.110
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.047
local terms energy: -85.089481
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -7.680
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: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -163.480919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.480919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.480919 (E_RNA)
where:
Base-Base interactions energy: -86.586
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.012
local terms energy: -76.883534
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -125.444003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.444003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.444003 (E_RNA)
where:
Base-Base interactions energy: -55.793
where: short stacking energy: -51.072
Base-Backbone interact. energy: 0.814
local terms energy: -70.465401
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -1.450
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -341.433088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.433088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.433088 (E_RNA)
where:
Base-Base interactions energy: -228.739
where: short stacking energy: -120.126
Base-Backbone interact. energy: -0.310
local terms energy: -112.383774
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -27.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -329.139520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.139520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.139520 (E_RNA)
where:
Base-Base interactions energy: -217.522
where: short stacking energy: -104.699
Base-Backbone interact. energy: -0.278
local terms energy: -111.339239
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -23.104
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -319.809438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.809438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.809438 (E_RNA)
where:
Base-Base interactions energy: -210.334
where: short stacking energy: -99.779
Base-Backbone interact. energy: -0.786
local terms energy: -108.689124
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -293.536040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.536040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.536040 (E_RNA)
where:
Base-Base interactions energy: -194.037
where: short stacking energy: -107.216
Base-Backbone interact. energy: -0.889
local terms energy: -98.609797
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -308.465676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.465676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.465676 (E_RNA)
where:
Base-Base interactions energy: -191.516
where: short stacking energy: -104.135
Base-Backbone interact. energy: -0.504
local terms energy: -116.445915
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -24.122
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: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -247.638926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.638926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.638926 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -76.781
Base-Backbone interact. energy: -0.114
local terms energy: -107.577802
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -22.611
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: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -160.512027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.512027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.512027 (E_RNA)
where:
Base-Base interactions energy: -65.409
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.185
local terms energy: -94.917681
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -147.330484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.330484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.330484 (E_RNA)
where:
Base-Base interactions energy: -59.966
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.310
local terms energy: -87.054281
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -8.289
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: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -129.046690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.046690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.046690 (E_RNA)
where:
Base-Base interactions energy: -54.307
where: short stacking energy: -40.045
Base-Backbone interact. energy: 0.535
local terms energy: -75.275420
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -0.579
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: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -162.788093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.788093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.788093 (E_RNA)
where:
Base-Base interactions energy: -87.505
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.834
local terms energy: -74.448960
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -337.372565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.372565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.372565 (E_RNA)
where:
Base-Base interactions energy: -215.151
where: short stacking energy: -118.315
Base-Backbone interact. energy: -0.029
local terms energy: -122.191930
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -29.838
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: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -341.376607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.376607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.376607 (E_RNA)
where:
Base-Base interactions energy: -220.378
where: short stacking energy: -119.997
Base-Backbone interact. energy: -0.932
local terms energy: -120.066933
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -30.595
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: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -286.220172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.220172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.220172 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -103.577
Base-Backbone interact. energy: 0.873
local terms energy: -109.096794
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -296.306795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.306795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.306795 (E_RNA)
where:
Base-Base interactions energy: -190.919
where: short stacking energy: -97.405
Base-Backbone interact. energy: -0.615
local terms energy: -104.772784
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -22.567
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: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -301.191988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.191988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.191988 (E_RNA)
where:
Base-Base interactions energy: -193.675
where: short stacking energy: -91.546
Base-Backbone interact. energy: -0.167
local terms energy: -107.350375
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -265.089006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.089006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.089006 (E_RNA)
where:
Base-Base interactions energy: -172.494
where: short stacking energy: -90.802
Base-Backbone interact. energy: -0.462
local terms energy: -92.133145
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -151.100298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.100298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.100298 (E_RNA)
where:
Base-Base interactions energy: -86.668
where: short stacking energy: -50.870
Base-Backbone interact. energy: -1.275
local terms energy: -63.157807
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -3.741
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -137.779787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.779787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.779787 (E_RNA)
where:
Base-Base interactions energy: -70.837
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.326
local terms energy: -66.616932
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -178.442871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.442871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.442871 (E_RNA)
where:
Base-Base interactions energy: -88.482
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.225
local terms energy: -89.735228
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -8.091
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: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -131.171903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.171903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.171903 (E_RNA)
where:
Base-Base interactions energy: -57.929
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.255
local terms energy: -72.986989
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -333.071071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.071071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.071071 (E_RNA)
where:
Base-Base interactions energy: -221.305
where: short stacking energy: -121.877
Base-Backbone interact. energy: -0.856
local terms energy: -110.910483
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -24.592
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: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -325.180843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.180843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.180843 (E_RNA)
where:
Base-Base interactions energy: -216.253
where: short stacking energy: -114.522
Base-Backbone interact. energy: -0.566
local terms energy: -108.361882
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -24.886
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: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -291.615770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.615770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.615770 (E_RNA)
where:
Base-Base interactions energy: -182.874
where: short stacking energy: -106.645
Base-Backbone interact. energy: -1.004
local terms energy: -107.738057
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -311.695517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.695517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.695517 (E_RNA)
where:
Base-Base interactions energy: -204.224
where: short stacking energy: -117.780
Base-Backbone interact. energy: 0.258
local terms energy: -107.729908
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -30.054
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: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -279.673880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.673880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.673880 (E_RNA)
where:
Base-Base interactions energy: -170.690
where: short stacking energy: -99.698
Base-Backbone interact. energy: -0.736
local terms energy: -108.247063
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -260.504911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.504911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.504911 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -82.024
Base-Backbone interact. energy: -0.742
local terms energy: -97.785678
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -214.938501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.938501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.938501 (E_RNA)
where:
Base-Base interactions energy: -129.519
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.259
local terms energy: -85.159943
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -171.318981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.318981 (E_RNA)
where:
Base-Base interactions energy: -92.319
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.889
local terms energy: -78.110691
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -151.190446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.190446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.190446 (E_RNA)
where:
Base-Base interactions energy: -73.360
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.128
local terms energy: -77.702484
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -7.680
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: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -177.448097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.448097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.448097 (E_RNA)
where:
Base-Base interactions energy: -106.043
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.452
local terms energy: -70.953107
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -354.885436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.885436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.885436 (E_RNA)
where:
Base-Base interactions energy: -235.029
where: short stacking energy: -119.292
Base-Backbone interact. energy: -0.290
local terms energy: -119.567064
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -320.972082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.972082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.972082 (E_RNA)
where:
Base-Base interactions energy: -200.818
where: short stacking energy: -106.855
Base-Backbone interact. energy: -0.961
local terms energy: -119.193383
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -24.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -332.378927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.378927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.378927 (E_RNA)
where:
Base-Base interactions energy: -215.755
where: short stacking energy: -109.156
Base-Backbone interact. energy: -0.275
local terms energy: -116.349167
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -27.427
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: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -275.569813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.569813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.569813 (E_RNA)
where:
Base-Base interactions energy: -178.261
where: short stacking energy: -96.066
Base-Backbone interact. energy: 1.533
local terms energy: -98.842353
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -268.291441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.291441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.291441 (E_RNA)
where:
Base-Base interactions energy: -173.238
where: short stacking energy: -95.618
Base-Backbone interact. energy: -0.157
local terms energy: -94.896979
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -18.846
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: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -269.832243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.832243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.832243 (E_RNA)
where:
Base-Base interactions energy: -179.313
where: short stacking energy: -90.991
Base-Backbone interact. energy: 0.086
local terms energy: -90.605621
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -197.502727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.502727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.502727 (E_RNA)
where:
Base-Base interactions energy: -107.883
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.179
local terms energy: -89.440358
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -186.849702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.849702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.849702 (E_RNA)
where:
Base-Base interactions energy: -100.245
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.420
local terms energy: -86.184348
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -184.801117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.801117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.801117 (E_RNA)
where:
Base-Base interactions energy: -98.044
where: short stacking energy: -62.657
Base-Backbone interact. energy: 0.660
local terms energy: -87.416345
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -132.417705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.417705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.417705 (E_RNA)
where:
Base-Base interactions energy: -53.176
where: short stacking energy: -37.692
Base-Backbone interact. energy: 5.487
local terms energy: -84.728756
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -6.321
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: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -343.049058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.049058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.049058 (E_RNA)
where:
Base-Base interactions energy: -226.264
where: short stacking energy: -116.897
Base-Backbone interact. energy: -1.816
local terms energy: -114.969259
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -20.498
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -347.809462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.809462 (E_RNA)
where:
Base-Base interactions energy: -231.903
where: short stacking energy: -114.291
Base-Backbone interact. energy: -0.676
local terms energy: -115.230465
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -28.352
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: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -323.942747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.942747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.942747 (E_RNA)
where:
Base-Base interactions energy: -205.266
where: short stacking energy: -113.214
Base-Backbone interact. energy: -0.158
local terms energy: -118.518944
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -25.059
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: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -291.558876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.558876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.558876 (E_RNA)
where:
Base-Base interactions energy: -185.906
where: short stacking energy: -95.776
Base-Backbone interact. energy: -0.207
local terms energy: -105.445888
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -281.136685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.136685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.136685 (E_RNA)
where:
Base-Base interactions energy: -184.185
where: short stacking energy: -93.328
Base-Backbone interact. energy: -0.148
local terms energy: -96.803346
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -271.690482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.690482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.690482 (E_RNA)
where:
Base-Base interactions energy: -177.119
where: short stacking energy: -78.710
Base-Backbone interact. energy: -2.075
local terms energy: -92.496008
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -210.942924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942924 (E_RNA)
where:
Base-Base interactions energy: -131.600
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.625
local terms energy: -78.717492
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -201.179575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.179575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.179575 (E_RNA)
where:
Base-Base interactions energy: -127.768
where: short stacking energy: -67.650
Base-Backbone interact. energy: -1.866
local terms energy: -71.544923
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -4.964
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -162.891348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.891348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.891348 (E_RNA)
where:
Base-Base interactions energy: -89.219
where: short stacking energy: -54.933
Base-Backbone interact. energy: -1.334
local terms energy: -72.338067
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -133.584117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.584117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.584117 (E_RNA)
where:
Base-Base interactions energy: -48.315
where: short stacking energy: -48.009
Base-Backbone interact. energy: -0.149
local terms energy: -85.119886
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -347.502933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.502933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.502933 (E_RNA)
where:
Base-Base interactions energy: -226.084
where: short stacking energy: -124.778
Base-Backbone interact. energy: -0.548
local terms energy: -120.871099
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -33.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -329.547086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.547086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.547086 (E_RNA)
where:
Base-Base interactions energy: -210.926
where: short stacking energy: -111.242
Base-Backbone interact. energy: -0.835
local terms energy: -117.785458
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -298.998799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.998799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.998799 (E_RNA)
where:
Base-Base interactions energy: -187.550
where: short stacking energy: -101.737
Base-Backbone interact. energy: -0.113
local terms energy: -111.336337
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -27.745
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: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -317.694335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.694335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.694335 (E_RNA)
where:
Base-Base interactions energy: -208.243
where: short stacking energy: -111.245
Base-Backbone interact. energy: -1.124
local terms energy: -108.326997
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -27.898
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: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -269.075839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.075839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.075839 (E_RNA)
where:
Base-Base interactions energy: -173.250
where: short stacking energy: -87.349
Base-Backbone interact. energy: -0.500
local terms energy: -95.325439
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -266.669385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.669385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.669385 (E_RNA)
where:
Base-Base interactions energy: -176.717
where: short stacking energy: -99.854
Base-Backbone interact. energy: 0.828
local terms energy: -90.780523
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -16.409
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: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -231.472450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472450 (E_RNA)
where:
Base-Base interactions energy: -151.863
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.852
local terms energy: -78.757288
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -15.056
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: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -172.202756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.202756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.202756 (E_RNA)
where:
Base-Base interactions energy: -95.397
where: short stacking energy: -57.458
Base-Backbone interact. energy: -2.458
local terms energy: -74.347175
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -6.035
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: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -159.544360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.544360 (E_RNA)
where:
Base-Base interactions energy: -81.023
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.657
local terms energy: -77.863816
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -136.618466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.618466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.618466 (E_RNA)
where:
Base-Base interactions energy: -72.170
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.241
local terms energy: -64.208256
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -3.483
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: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -351.475108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.475108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.475108 (E_RNA)
where:
Base-Base interactions energy: -231.706
where: short stacking energy: -123.247
Base-Backbone interact. energy: -0.930
local terms energy: -118.839606
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -31.824
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: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -317.254867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.254867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.254867 (E_RNA)
where:
Base-Base interactions energy: -206.548
where: short stacking energy: -108.208
Base-Backbone interact. energy: 0.058
local terms energy: -110.765078
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -27.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -321.528298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.528298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.528298 (E_RNA)
where:
Base-Base interactions energy: -209.774
where: short stacking energy: -106.737
Base-Backbone interact. energy: -0.515
local terms energy: -111.239655
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -28.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -312.440006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.440006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.440006 (E_RNA)
where:
Base-Base interactions energy: -206.531
where: short stacking energy: -105.490
Base-Backbone interact. energy: -1.264
local terms energy: -104.644835
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -279.837027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.837027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.837027 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -90.062
Base-Backbone interact. energy: -1.487
local terms energy: -104.869514
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -269.574301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.574301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.574301 (E_RNA)
where:
Base-Base interactions energy: -180.041
where: short stacking energy: -97.526
Base-Backbone interact. energy: -0.094
local terms energy: -89.438773
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -248.637939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.637939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.637939 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -78.436
Base-Backbone interact. energy: -0.239
local terms energy: -101.942227
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -17.254
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: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -204.309242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.309242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.309242 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.169
local terms energy: -86.636486
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -141.909593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.909593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.909593 (E_RNA)
where:
Base-Base interactions energy: -64.134
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.755
local terms energy: -77.020069
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -126.632542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.632542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.632542 (E_RNA)
where:
Base-Base interactions energy: -62.427
where: short stacking energy: -42.956
Base-Backbone interact. energy: -1.409
local terms energy: -62.796593
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: 1.325
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: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -345.832277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.832277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.832277 (E_RNA)
where:
Base-Base interactions energy: -231.407
where: short stacking energy: -122.883
Base-Backbone interact. energy: -1.029
local terms energy: -113.396153
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -316.283963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.283963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.283963 (E_RNA)
where:
Base-Base interactions energy: -200.944
where: short stacking energy: -119.732
Base-Backbone interact. energy: -0.240
local terms energy: -115.099528
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -312.652716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.652716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.652716 (E_RNA)
where:
Base-Base interactions energy: -197.949
where: short stacking energy: -101.258
Base-Backbone interact. energy: -0.039
local terms energy: -114.664424
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -28.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -302.599154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.599154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.599154 (E_RNA)
where:
Base-Base interactions energy: -205.001
where: short stacking energy: -90.106
Base-Backbone interact. energy: -1.037
local terms energy: -96.561206
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -293.571475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.571475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.571475 (E_RNA)
where:
Base-Base interactions energy: -197.394
where: short stacking energy: -89.820
Base-Backbone interact. energy: 1.257
local terms energy: -97.434156
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -14.940
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: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -259.233066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.233066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.233066 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -76.129
Base-Backbone interact. energy: -1.301
local terms energy: -101.105093
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -242.331449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.331449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.331449 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -73.667
Base-Backbone interact. energy: 0.895
local terms energy: -97.996551
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -199.615472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.615472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.615472 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -52.556
Base-Backbone interact. energy: -0.985
local terms energy: -76.093458
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -122.619351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.619351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.619351 (E_RNA)
where:
Base-Base interactions energy: -40.479
where: short stacking energy: -32.814
Base-Backbone interact. energy: -1.127
local terms energy: -81.013467
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -134.512598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.512598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.512598 (E_RNA)
where:
Base-Base interactions energy: -52.013
where: short stacking energy: -52.013
Base-Backbone interact. energy: 2.249
local terms energy: -84.748123
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -4.372
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: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -346.884865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.884865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.884865 (E_RNA)
where:
Base-Base interactions energy: -228.738
where: short stacking energy: -123.263
Base-Backbone interact. energy: 0.848
local terms energy: -118.995054
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -34.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -308.228174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.228174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.228174 (E_RNA)
where:
Base-Base interactions energy: -197.586
where: short stacking energy: -115.253
Base-Backbone interact. energy: -0.020
local terms energy: -110.622047
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -29.413
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: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -319.802947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.802947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.802947 (E_RNA)
where:
Base-Base interactions energy: -201.373
where: short stacking energy: -106.576
Base-Backbone interact. energy: 1.274
local terms energy: -119.703914
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -24.030
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: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -303.886450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.886450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.886450 (E_RNA)
where:
Base-Base interactions energy: -198.114
where: short stacking energy: -97.897
Base-Backbone interact. energy: 1.213
local terms energy: -106.985684
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -299.082401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.082401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.082401 (E_RNA)
where:
Base-Base interactions energy: -199.224
where: short stacking energy: -94.172
Base-Backbone interact. energy: -0.271
local terms energy: -99.587751
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -260.851604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.851604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.851604 (E_RNA)
where:
Base-Base interactions energy: -171.512
where: short stacking energy: -100.044
Base-Backbone interact. energy: -0.079
local terms energy: -89.261070
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -238.536131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.536131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.536131 (E_RNA)
where:
Base-Base interactions energy: -154.143
where: short stacking energy: -93.377
Base-Backbone interact. energy: 1.964
local terms energy: -86.357976
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -197.441350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441350 (E_RNA)
where:
Base-Base interactions energy: -123.875
where: short stacking energy: -59.901
Base-Backbone interact. energy: 4.070
local terms energy: -77.636492
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -12.946
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -136.710757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.710757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.710757 (E_RNA)
where:
Base-Base interactions energy: -57.766
where: short stacking energy: -57.958
Base-Backbone interact. energy: -1.564
local terms energy: -77.380257
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -129.976956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.976956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.976956 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -43.263
Base-Backbone interact. energy: -0.243
local terms energy: -84.043168
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -342.355240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.355240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.355240 (E_RNA)
where:
Base-Base interactions energy: -222.415
where: short stacking energy: -114.013
Base-Backbone interact. energy: -0.346
local terms energy: -119.594476
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -33.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -323.331964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.331964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.331964 (E_RNA)
where:
Base-Base interactions energy: -205.511
where: short stacking energy: -116.900
Base-Backbone interact. energy: -0.547
local terms energy: -117.273815
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -15.579
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: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -318.466632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.466632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.466632 (E_RNA)
where:
Base-Base interactions energy: -201.722
where: short stacking energy: -104.401
Base-Backbone interact. energy: -1.154
local terms energy: -115.590787
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -309.555969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.555969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.555969 (E_RNA)
where:
Base-Base interactions energy: -201.364
where: short stacking energy: -101.083
Base-Backbone interact. energy: 0.429
local terms energy: -108.620593
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -21.670
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: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -298.101809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.101809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.101809 (E_RNA)
where:
Base-Base interactions energy: -191.152
where: short stacking energy: -101.549
Base-Backbone interact. energy: -0.100
local terms energy: -106.850652
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -274.462493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.462493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.462493 (E_RNA)
where:
Base-Base interactions energy: -174.014
where: short stacking energy: -81.660
Base-Backbone interact. energy: 0.267
local terms energy: -100.715820
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -17.837
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: 74
Temperature: 1.200000
Total energy: -206.835147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.835147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.835147 (E_RNA)
where:
Base-Base interactions energy: -120.148
where: short stacking energy: -56.282
Base-Backbone interact. energy: -1.180
local terms energy: -85.507097
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -210.215989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.215989 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -75.431
Base-Backbone interact. energy: -1.347
local terms energy: -71.536703
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -10.172
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -146.096858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.096858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.096858 (E_RNA)
where:
Base-Base interactions energy: -71.613
where: short stacking energy: -66.591
Base-Backbone interact. energy: 2.018
local terms energy: -76.501867
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -115.638065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.638065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.638065 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.234
local terms energy: -72.358543
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -0.778
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: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -347.172553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.172553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.172553 (E_RNA)
where:
Base-Base interactions energy: -230.526
where: short stacking energy: -120.785
Base-Backbone interact. energy: -0.019
local terms energy: -116.627741
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -330.102878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.102878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.102878 (E_RNA)
where:
Base-Base interactions energy: -218.190
where: short stacking energy: -125.722
Base-Backbone interact. energy: -0.394
local terms energy: -111.518920
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -316.619619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.619619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.619619 (E_RNA)
where:
Base-Base interactions energy: -205.826
where: short stacking energy: -113.480
Base-Backbone interact. energy: -0.128
local terms energy: -110.666183
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -302.379106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.379106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.379106 (E_RNA)
where:
Base-Base interactions energy: -196.345
where: short stacking energy: -102.408
Base-Backbone interact. energy: -1.853
local terms energy: -104.180380
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -300.305451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.305451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.305451 (E_RNA)
where:
Base-Base interactions energy: -197.169
where: short stacking energy: -96.524
Base-Backbone interact. energy: -1.670
local terms energy: -101.466306
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -278.102662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.102662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.102662 (E_RNA)
where:
Base-Base interactions energy: -197.619
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.513
local terms energy: -79.971232
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -210.690605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.690605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.690605 (E_RNA)
where:
Base-Base interactions energy: -122.935
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.311
local terms energy: -87.444328
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -223.680447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.680447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.680447 (E_RNA)
where:
Base-Base interactions energy: -126.488
where: short stacking energy: -67.473
Base-Backbone interact. energy: -1.515
local terms energy: -95.677490
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -134.947200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.947200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.947200 (E_RNA)
where:
Base-Base interactions energy: -64.166
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.243
local terms energy: -70.537531
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -2.206
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: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -107.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074744 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -38.771
Base-Backbone interact. energy: -0.267
local terms energy: -66.985370
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -344.333280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.333280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.333280 (E_RNA)
where:
Base-Base interactions energy: -226.455
where: short stacking energy: -127.969
Base-Backbone interact. energy: -0.303
local terms energy: -117.575418
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -27.575
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: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -325.018864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.018864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.018864 (E_RNA)
where:
Base-Base interactions energy: -208.407
where: short stacking energy: -118.980
Base-Backbone interact. energy: -0.486
local terms energy: -116.125627
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -29.424
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: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -325.540739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.540739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.540739 (E_RNA)
where:
Base-Base interactions energy: -216.075
where: short stacking energy: -98.338
Base-Backbone interact. energy: -0.695
local terms energy: -108.771021
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -321.384528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.384528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.384528 (E_RNA)
where:
Base-Base interactions energy: -211.392
where: short stacking energy: -104.091
Base-Backbone interact. energy: -0.400
local terms energy: -109.592245
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -311.198624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.198624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.198624 (E_RNA)
where:
Base-Base interactions energy: -209.898
where: short stacking energy: -108.003
Base-Backbone interact. energy: -0.767
local terms energy: -100.533803
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -23.980
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -285.738424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.738424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.738424 (E_RNA)
where:
Base-Base interactions energy: -186.360
where: short stacking energy: -93.382
Base-Backbone interact. energy: -0.246
local terms energy: -99.132411
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -10.852
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -214.036970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036970 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -87.908
Base-Backbone interact. energy: -0.361
local terms energy: -80.507127
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -170.317033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.317033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.317033 (E_RNA)
where:
Base-Base interactions energy: -91.981
where: short stacking energy: -59.855
Base-Backbone interact. energy: -2.354
local terms energy: -75.982553
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -139.108206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.108206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.108206 (E_RNA)
where:
Base-Base interactions energy: -73.273
where: short stacking energy: -44.031
Base-Backbone interact. energy: -0.826
local terms energy: -65.009483
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -122.838823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.838823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.838823 (E_RNA)
where:
Base-Base interactions energy: -55.464
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.151
local terms energy: -67.223343
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -5.800
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: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -347.994919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.994919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.994919 (E_RNA)
where:
Base-Base interactions energy: -225.081
where: short stacking energy: -124.940
Base-Backbone interact. energy: -0.811
local terms energy: -122.102306
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -33.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -330.757935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.757935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.757935 (E_RNA)
where:
Base-Base interactions energy: -209.960
where: short stacking energy: -116.428
Base-Backbone interact. energy: -0.044
local terms energy: -120.753693
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -330.270493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.270493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.270493 (E_RNA)
where:
Base-Base interactions energy: -218.393
where: short stacking energy: -113.634
Base-Backbone interact. energy: -0.858
local terms energy: -111.019700
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -320.035704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.035704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.035704 (E_RNA)
where:
Base-Base interactions energy: -223.348
where: short stacking energy: -115.732
Base-Backbone interact. energy: -0.484
local terms energy: -96.203093
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -294.110646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.110646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.110646 (E_RNA)
where:
Base-Base interactions energy: -191.316
where: short stacking energy: -85.475
Base-Backbone interact. energy: -0.072
local terms energy: -102.722314
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -317.998088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.998088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.998088 (E_RNA)
where:
Base-Base interactions energy: -210.321
where: short stacking energy: -107.962
Base-Backbone interact. energy: -1.521
local terms energy: -106.156055
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -27.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -235.295096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.295096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.295096 (E_RNA)
where:
Base-Base interactions energy: -146.727
where: short stacking energy: -80.740
Base-Backbone interact. energy: 0.620
local terms energy: -89.187959
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -16.694
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: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -154.344211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.344211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.344211 (E_RNA)
where:
Base-Base interactions energy: -81.744
where: short stacking energy: -63.690
Base-Backbone interact. energy: -1.419
local terms energy: -71.181730
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -184.672461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.672461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.672461 (E_RNA)
where:
Base-Base interactions energy: -109.530
where: short stacking energy: -68.712
Base-Backbone interact. energy: -1.013
local terms energy: -74.129813
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -12.603
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -122.113972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.113972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.113972 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.717
local terms energy: -69.118546
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -352.422983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.422983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.422983 (E_RNA)
where:
Base-Base interactions energy: -225.628
where: short stacking energy: -119.880
Base-Backbone interact. energy: -0.513
local terms energy: -126.282434
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -35.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -334.963081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.963081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.963081 (E_RNA)
where:
Base-Base interactions energy: -221.295
where: short stacking energy: -112.150
Base-Backbone interact. energy: -0.530
local terms energy: -113.138034
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -28.425
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -331.397893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.397893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.397893 (E_RNA)
where:
Base-Base interactions energy: -223.351
where: short stacking energy: -113.180
Base-Backbone interact. energy: -0.512
local terms energy: -107.534573
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -31.547
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -317.398318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.398318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.398318 (E_RNA)
where:
Base-Base interactions energy: -211.044
where: short stacking energy: -105.764
Base-Backbone interact. energy: -0.201
local terms energy: -106.152985
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -24.106
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -304.533595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.533595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.533595 (E_RNA)
where:
Base-Base interactions energy: -202.602
where: short stacking energy: -96.467
Base-Backbone interact. energy: 1.804
local terms energy: -103.735610
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -21.643
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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -277.143585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.143585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.143585 (E_RNA)
where:
Base-Base interactions energy: -186.492
where: short stacking energy: -89.290
Base-Backbone interact. energy: 0.031
local terms energy: -90.682435
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -227.290711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.290711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.290711 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -78.528
Base-Backbone interact. energy: -0.080
local terms energy: -91.806404
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -153.596607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.596607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.596607 (E_RNA)
where:
Base-Base interactions energy: -68.093
where: short stacking energy: -60.053
Base-Backbone interact. energy: -1.922
local terms energy: -83.581065
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -9.569
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: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -181.718292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718292 (E_RNA)
where:
Base-Base interactions energy: -103.918
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.417
local terms energy: -77.383113
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -152.491073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.491073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.491073 (E_RNA)
where:
Base-Base interactions energy: -80.305
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.386
local terms energy: -71.799554
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -2.266
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -359.192773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.192773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.192773 (E_RNA)
where:
Base-Base interactions energy: -237.097
where: short stacking energy: -123.664
Base-Backbone interact. energy: -1.478
local terms energy: -120.617876
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -32.373
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: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -331.254239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.254239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.254239 (E_RNA)
where:
Base-Base interactions energy: -218.648
where: short stacking energy: -107.686
Base-Backbone interact. energy: -0.151
local terms energy: -112.455342
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -331.079371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.079371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.079371 (E_RNA)
where:
Base-Base interactions energy: -212.251
where: short stacking energy: -105.559
Base-Backbone interact. energy: 1.686
local terms energy: -120.514114
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -316.824357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.824357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.824357 (E_RNA)
where:
Base-Base interactions energy: -209.359
where: short stacking energy: -105.103
Base-Backbone interact. energy: -0.013
local terms energy: -107.452135
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -24.850
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: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -310.220568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.220568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.220568 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -98.560
Base-Backbone interact. energy: -0.233
local terms energy: -103.781453
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -17.766
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: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -216.840237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.840237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.840237 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -87.066
Base-Backbone interact. energy: 0.545
local terms energy: -90.101983
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -15.053
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -224.001875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.001875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.001875 (E_RNA)
where:
Base-Base interactions energy: -131.125
where: short stacking energy: -71.121
Base-Backbone interact. energy: -0.344
local terms energy: -92.532855
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -194.400766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.400766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.400766 (E_RNA)
where:
Base-Base interactions energy: -95.835
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.183
local terms energy: -98.382904
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -127.521217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.521217 (E_RNA)
where:
Base-Base interactions energy: -54.285
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.261
local terms energy: -72.975177
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -121.269690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.269690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.269690 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -43.616
Base-Backbone interact. energy: -0.745
local terms energy: -76.909095
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -10.152
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: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -357.159606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.159606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.159606 (E_RNA)
where:
Base-Base interactions energy: -239.774
where: short stacking energy: -130.291
Base-Backbone interact. energy: -0.204
local terms energy: -117.181503
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -34.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -355.736232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.736232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.736232 (E_RNA)
where:
Base-Base interactions energy: -234.405
where: short stacking energy: -132.883
Base-Backbone interact. energy: -0.289
local terms energy: -121.042180
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -37.535
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: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -332.211253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.211253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.211253 (E_RNA)
where:
Base-Base interactions energy: -219.920
where: short stacking energy: -111.640
Base-Backbone interact. energy: -0.062
local terms energy: -112.229211
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -30.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -321.486219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.486219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.486219 (E_RNA)
where:
Base-Base interactions energy: -204.553
where: short stacking energy: -107.048
Base-Backbone interact. energy: -0.176
local terms energy: -116.757132
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -300.360148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.360148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.360148 (E_RNA)
where:
Base-Base interactions energy: -191.758
where: short stacking energy: -99.387
Base-Backbone interact. energy: -0.071
local terms energy: -108.530281
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -226.192883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.192883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.192883 (E_RNA)
where:
Base-Base interactions energy: -130.165
where: short stacking energy: -89.081
Base-Backbone interact. energy: -0.043
local terms energy: -95.985199
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -207.572652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.572652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.572652 (E_RNA)
where:
Base-Base interactions energy: -112.453
where: short stacking energy: -72.048
Base-Backbone interact. energy: -0.992
local terms energy: -94.127511
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -174.165134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.165134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.165134 (E_RNA)
where:
Base-Base interactions energy: -89.626
where: short stacking energy: -53.697
Base-Backbone interact. energy: -0.656
local terms energy: -83.883012
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -168.356371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.356371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.356371 (E_RNA)
where:
Base-Base interactions energy: -93.196
where: short stacking energy: -62.982
Base-Backbone interact. energy: 1.536
local terms energy: -76.697075
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -124.699108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.699108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.699108 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.196
local terms energy: -74.368926
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -357.284275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.284275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.284275 (E_RNA)
where:
Base-Base interactions energy: -234.416
where: short stacking energy: -129.064
Base-Backbone interact. energy: -0.199
local terms energy: -122.668996
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -33.420
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -361.648123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.648123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.648123 (E_RNA)
where:
Base-Base interactions energy: -235.836
where: short stacking energy: -130.305
Base-Backbone interact. energy: -0.979
local terms energy: -124.832348
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -37.415
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: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -332.799149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.799149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.799149 (E_RNA)
where:
Base-Base interactions energy: -218.270
where: short stacking energy: -118.040
Base-Backbone interact. energy: 0.001
local terms energy: -114.529304
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -323.080115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.080115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.080115 (E_RNA)
where:
Base-Base interactions energy: -214.767
where: short stacking energy: -99.769
Base-Backbone interact. energy: -0.278
local terms energy: -108.035513
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -296.635542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.635542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.635542 (E_RNA)
where:
Base-Base interactions energy: -197.393
where: short stacking energy: -92.311
Base-Backbone interact. energy: 0.343
local terms energy: -99.585702
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -210.457748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.457748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.457748 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -74.805
Base-Backbone interact. energy: -2.876
local terms energy: -91.305555
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -217.006829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.006829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.006829 (E_RNA)
where:
Base-Base interactions energy: -126.992
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.573
local terms energy: -89.442448
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -190.032838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.032838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.032838 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.305
local terms energy: -62.782953
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -7.351
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -165.846922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846922 (E_RNA)
where:
Base-Base interactions energy: -83.977
where: short stacking energy: -47.486
Base-Backbone interact. energy: 1.908
local terms energy: -83.778016
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -114.490449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.490449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.490449 (E_RNA)
where:
Base-Base interactions energy: -47.981
where: short stacking energy: -42.812
Base-Backbone interact. energy: -0.308
local terms energy: -66.201378
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -26.869
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -358.075668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.075668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.075668 (E_RNA)
where:
Base-Base interactions energy: -240.046
where: short stacking energy: -126.085
Base-Backbone interact. energy: -0.510
local terms energy: -117.519689
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -34.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -344.779223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.779223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.779223 (E_RNA)
where:
Base-Base interactions energy: -224.248
where: short stacking energy: -119.944
Base-Backbone interact. energy: 0.308
local terms energy: -120.839469
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -338.604477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.604477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.604477 (E_RNA)
where:
Base-Base interactions energy: -218.320
where: short stacking energy: -109.380
Base-Backbone interact. energy: -1.939
local terms energy: -118.344929
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -318.283019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.283019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.283019 (E_RNA)
where:
Base-Base interactions energy: -212.884
where: short stacking energy: -108.372
Base-Backbone interact. energy: 0.115
local terms energy: -105.513492
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -297.345430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.345430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.345430 (E_RNA)
where:
Base-Base interactions energy: -201.568
where: short stacking energy: -95.900
Base-Backbone interact. energy: -1.424
local terms energy: -94.353928
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -216.095611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.095611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.095611 (E_RNA)
where:
Base-Base interactions energy: -130.955
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.476
local terms energy: -84.664846
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -13.845
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: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -248.145380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.145380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.145380 (E_RNA)
where:
Base-Base interactions energy: -151.655
where: short stacking energy: -85.164
Base-Backbone interact. energy: 2.316
local terms energy: -98.806824
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -182.443868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.443868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.443868 (E_RNA)
where:
Base-Base interactions energy: -91.702
where: short stacking energy: -58.081
Base-Backbone interact. energy: -1.762
local terms energy: -88.979911
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -181.737858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.737858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.737858 (E_RNA)
where:
Base-Base interactions energy: -95.696
where: short stacking energy: -53.049
Base-Backbone interact. energy: 0.136
local terms energy: -86.177512
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -2.201
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -121.149071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.149071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.149071 (E_RNA)
where:
Base-Base interactions energy: -52.255
where: short stacking energy: -37.684
Base-Backbone interact. energy: -2.265
local terms energy: -66.628370
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -359.304978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.304978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.304978 (E_RNA)
where:
Base-Base interactions energy: -228.649
where: short stacking energy: -132.224
Base-Backbone interact. energy: -0.374
local terms energy: -130.282298
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -33.686
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: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -334.958937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.958937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.958937 (E_RNA)
where:
Base-Base interactions energy: -224.319
where: short stacking energy: -99.837
Base-Backbone interact. energy: -0.695
local terms energy: -109.945490
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -23.095
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: 83
Temperature: 1.000000
Total energy: -339.444233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.444233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.444233 (E_RNA)
where:
Base-Base interactions energy: -212.715
where: short stacking energy: -117.264
Base-Backbone interact. energy: -0.022
local terms energy: -126.706991
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -32.132
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -322.598363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.598363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.598363 (E_RNA)
where:
Base-Base interactions energy: -217.578
where: short stacking energy: -108.561
Base-Backbone interact. energy: -0.860
local terms energy: -104.160762
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -25.108
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: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -309.278257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.278257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.278257 (E_RNA)
where:
Base-Base interactions energy: -207.161
where: short stacking energy: -102.429
Base-Backbone interact. energy: 1.386
local terms energy: -103.502905
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -22.425
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: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -255.314625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.314625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.314625 (E_RNA)
where:
Base-Base interactions energy: -160.935
where: short stacking energy: -92.048
Base-Backbone interact. energy: -0.031
local terms energy: -94.348140
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -9.691
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: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -239.727302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.727302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.727302 (E_RNA)
where:
Base-Base interactions energy: -149.634
where: short stacking energy: -90.338
Base-Backbone interact. energy: 1.720
local terms energy: -91.813708
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -174.345183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.345183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.345183 (E_RNA)
where:
Base-Base interactions energy: -92.423
where: short stacking energy: -50.349
Base-Backbone interact. energy: -1.515
local terms energy: -80.407478
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -3.214
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: 83
Temperature: 1.300000
Total energy: -169.135538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.135538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.135538 (E_RNA)
where:
Base-Base interactions energy: -88.618
where: short stacking energy: -57.363
Base-Backbone interact. energy: 0.658
local terms energy: -81.175949
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -128.560797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.560797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.560797 (E_RNA)
where:
Base-Base interactions energy: -52.484
where: short stacking energy: -36.507
Base-Backbone interact. energy: 0.528
local terms energy: -76.604526
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -6.584
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: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -365.197797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.197797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.197797 (E_RNA)
where:
Base-Base interactions energy: -238.438
where: short stacking energy: -132.114
Base-Backbone interact. energy: -0.084
local terms energy: -126.675450
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -38.564
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: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -335.434063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.434063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.434063 (E_RNA)
where:
Base-Base interactions energy: -229.180
where: short stacking energy: -114.601
Base-Backbone interact. energy: -0.216
local terms energy: -106.037601
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -29.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -330.224695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.224695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.224695 (E_RNA)
where:
Base-Base interactions energy: -223.517
where: short stacking energy: -103.817
Base-Backbone interact. energy: -0.377
local terms energy: -106.330980
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -24.132
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -312.274192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.274192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.274192 (E_RNA)
where:
Base-Base interactions energy: -201.378
where: short stacking energy: -102.602
Base-Backbone interact. energy: 0.251
local terms energy: -111.147127
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -19.450
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: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -308.263805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.263805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.263805 (E_RNA)
where:
Base-Base interactions energy: -203.092
where: short stacking energy: -107.420
Base-Backbone interact. energy: -0.013
local terms energy: -105.158796
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -265.478895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.478895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.478895 (E_RNA)
where:
Base-Base interactions energy: -166.176
where: short stacking energy: -87.263
Base-Backbone interact. energy: -0.539
local terms energy: -98.763745
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -278.026364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.026364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.026364 (E_RNA)
where:
Base-Base interactions energy: -174.812
where: short stacking energy: -112.586
Base-Backbone interact. energy: -0.149
local terms energy: -103.065174
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -27.298
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -182.594676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.594676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.594676 (E_RNA)
where:
Base-Base interactions energy: -97.837
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.194
local terms energy: -84.563032
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -150.788684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.788684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.788684 (E_RNA)
where:
Base-Base interactions energy: -61.324
where: short stacking energy: -59.564
Base-Backbone interact. energy: 0.161
local terms energy: -89.626128
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -127.414292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.414292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.414292 (E_RNA)
where:
Base-Base interactions energy: -68.182
where: short stacking energy: -58.006
Base-Backbone interact. energy: 0.775
local terms energy: -60.007019
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -364.518668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.518668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.518668 (E_RNA)
where:
Base-Base interactions energy: -232.986
where: short stacking energy: -122.162
Base-Backbone interact. energy: -0.004
local terms energy: -131.529455
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -335.632059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.632059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.632059 (E_RNA)
where:
Base-Base interactions energy: -217.828
where: short stacking energy: -109.708
Base-Backbone interact. energy: -0.176
local terms energy: -117.628424
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -331.942787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.942787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.942787 (E_RNA)
where:
Base-Base interactions energy: -221.442
where: short stacking energy: -110.807
Base-Backbone interact. energy: -1.344
local terms energy: -109.157151
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -25.584
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: 85
Temperature: 1.050000
Total energy: -327.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.930769 (E_RNA)
where:
Base-Base interactions energy: -210.187
where: short stacking energy: -107.909
Base-Backbone interact. energy: -1.780
local terms energy: -115.963240
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -306.662913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.662913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.662913 (E_RNA)
where:
Base-Base interactions energy: -203.043
where: short stacking energy: -96.239
Base-Backbone interact. energy: -0.125
local terms energy: -103.495254
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -281.235097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.235097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.235097 (E_RNA)
where:
Base-Base interactions energy: -185.959
where: short stacking energy: -103.347
Base-Backbone interact. energy: -0.953
local terms energy: -94.323489
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -19.381
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: 85
Temperature: 1.200000
Total energy: -246.571706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.571706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.571706 (E_RNA)
where:
Base-Base interactions energy: -148.511
where: short stacking energy: -71.273
Base-Backbone interact. energy: -0.347
local terms energy: -97.713833
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -17.495
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -154.231168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.231168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.231168 (E_RNA)
where:
Base-Base interactions energy: -75.736
where: short stacking energy: -68.594
Base-Backbone interact. energy: 2.167
local terms energy: -80.662097
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -185.655669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.655669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655669 (E_RNA)
where:
Base-Base interactions energy: -100.594
where: short stacking energy: -64.149
Base-Backbone interact. energy: -1.581
local terms energy: -83.480462
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -10.549
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -114.138332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.138332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.138332 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.292
local terms energy: -73.798511
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -369.452910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.452910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.452910 (E_RNA)
where:
Base-Base interactions energy: -242.044
where: short stacking energy: -136.712
Base-Backbone interact. energy: -0.290
local terms energy: -127.118686
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -34.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -338.189770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.189770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.189770 (E_RNA)
where:
Base-Base interactions energy: -218.758
where: short stacking energy: -112.743
Base-Backbone interact. energy: -0.775
local terms energy: -118.656663
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -30.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -331.993205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.993205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.993205 (E_RNA)
where:
Base-Base interactions energy: -224.555
where: short stacking energy: -109.201
Base-Backbone interact. energy: -0.358
local terms energy: -107.080267
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -22.945
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -302.521635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.521635 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -95.239
Base-Backbone interact. energy: -1.054
local terms energy: -99.653317
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -305.413664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.413664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.413664 (E_RNA)
where:
Base-Base interactions energy: -209.453
where: short stacking energy: -96.912
Base-Backbone interact. energy: -0.235
local terms energy: -95.725514
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -297.401663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.401663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.401663 (E_RNA)
where:
Base-Base interactions energy: -192.235
where: short stacking energy: -94.560
Base-Backbone interact. energy: 2.396
local terms energy: -107.562408
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -254.347329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.347329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.347329 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -84.351
Base-Backbone interact. energy: -0.561
local terms energy: -100.027413
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -142.369305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.369305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.369305 (E_RNA)
where:
Base-Base interactions energy: -53.123
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.234
local terms energy: -89.012251
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -140.807409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.807409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.807409 (E_RNA)
where:
Base-Base interactions energy: -62.171
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.122
local terms energy: -78.513950
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -130.697764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.697764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.697764 (E_RNA)
where:
Base-Base interactions energy: -55.187
where: short stacking energy: -54.957
Base-Backbone interact. energy: -0.092
local terms energy: -75.418634
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -374.256877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.256877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.256877 (E_RNA)
where:
Base-Base interactions energy: -252.435
where: short stacking energy: -128.785
Base-Backbone interact. energy: -0.868
local terms energy: -120.954054
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -19.537
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: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -337.122109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.122109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.122109 (E_RNA)
where:
Base-Base interactions energy: -220.616
where: short stacking energy: -111.582
Base-Backbone interact. energy: -0.186
local terms energy: -116.320432
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -331.663826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.663826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.663826 (E_RNA)
where:
Base-Base interactions energy: -221.598
where: short stacking energy: -108.818
Base-Backbone interact. energy: -0.378
local terms energy: -109.687378
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -309.319658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.319658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.319658 (E_RNA)
where:
Base-Base interactions energy: -206.423
where: short stacking energy: -108.407
Base-Backbone interact. energy: -0.108
local terms energy: -102.788864
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -342.327096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.327096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.327096 (E_RNA)
where:
Base-Base interactions energy: -224.820
where: short stacking energy: -110.672
Base-Backbone interact. energy: 0.019
local terms energy: -117.526058
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -26.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -304.560386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.560386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.560386 (E_RNA)
where:
Base-Base interactions energy: -206.338
where: short stacking energy: -103.007
Base-Backbone interact. energy: -0.290
local terms energy: -97.931953
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -231.581787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.581787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.581787 (E_RNA)
where:
Base-Base interactions energy: -147.991
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.640
local terms energy: -82.950677
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -146.010791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.010791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.010791 (E_RNA)
where:
Base-Base interactions energy: -71.603
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.626
local terms energy: -73.782425
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -10.079
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -150.473911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.473911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.473911 (E_RNA)
where:
Base-Base interactions energy: -74.023
where: short stacking energy: -49.599
Base-Backbone interact. energy: 1.363
local terms energy: -77.814148
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -7.043
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -133.193594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.193594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.193594 (E_RNA)
where:
Base-Base interactions energy: -56.828
where: short stacking energy: -43.186
Base-Backbone interact. energy: 0.410
local terms energy: -76.775860
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -0.778
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: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -366.002067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.002067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.002067 (E_RNA)
where:
Base-Base interactions energy: -241.747
where: short stacking energy: -126.428
Base-Backbone interact. energy: 0.340
local terms energy: -124.594954
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -32.360
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -338.917112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.917112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.917112 (E_RNA)
where:
Base-Base interactions energy: -229.836
where: short stacking energy: -117.684
Base-Backbone interact. energy: -0.035
local terms energy: -109.045564
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -321.173162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.173162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.173162 (E_RNA)
where:
Base-Base interactions energy: -217.603
where: short stacking energy: -122.916
Base-Backbone interact. energy: -0.069
local terms energy: -103.501856
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -28.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -265.287566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.287566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.287566 (E_RNA)
where:
Base-Base interactions energy: -158.794
where: short stacking energy: -70.625
Base-Backbone interact. energy: -1.721
local terms energy: -104.772376
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -329.545360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.545360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.545360 (E_RNA)
where:
Base-Base interactions energy: -235.364
where: short stacking energy: -109.727
Base-Backbone interact. energy: 0.555
local terms energy: -94.736755
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -271.802169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.802169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.802169 (E_RNA)
where:
Base-Base interactions energy: -177.380
where: short stacking energy: -84.227
Base-Backbone interact. energy: 0.219
local terms energy: -94.640781
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -19.200
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: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -234.278063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.278063 (E_RNA)
where:
Base-Base interactions energy: -138.596
where: short stacking energy: -81.821
Base-Backbone interact. energy: -0.104
local terms energy: -95.577889
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -137.039929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.039929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.039929 (E_RNA)
where:
Base-Base interactions energy: -63.899
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.101
local terms energy: -73.039162
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -130.425646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.425646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.425646 (E_RNA)
where:
Base-Base interactions energy: -51.883
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.997
local terms energy: -77.545016
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -9.430
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: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -179.512611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.512611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.512611 (E_RNA)
where:
Base-Base interactions energy: -87.452
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.058
local terms energy: -92.002972
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -360.715295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.715295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.715295 (E_RNA)
where:
Base-Base interactions energy: -244.292
where: short stacking energy: -136.187
Base-Backbone interact. energy: -0.002
local terms energy: -116.421505
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -34.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -334.004535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.004535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.004535 (E_RNA)
where:
Base-Base interactions energy: -215.069
where: short stacking energy: -120.605
Base-Backbone interact. energy: -0.067
local terms energy: -118.868827
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -339.007703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.007703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.007703 (E_RNA)
where:
Base-Base interactions energy: -219.327
where: short stacking energy: -117.664
Base-Backbone interact. energy: -0.768
local terms energy: -118.912510
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -31.773
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: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -322.580560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.580560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.580560 (E_RNA)
where:
Base-Base interactions energy: -211.750
where: short stacking energy: -91.932
Base-Backbone interact. energy: -0.832
local terms energy: -109.998752
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -25.388
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -288.961010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.961010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.961010 (E_RNA)
where:
Base-Base interactions energy: -191.127
where: short stacking energy: -98.833
Base-Backbone interact. energy: 0.991
local terms energy: -98.825198
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -20.905
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: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -276.234910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.234910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.234910 (E_RNA)
where:
Base-Base interactions energy: -181.371
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.008
local terms energy: -94.855786
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -243.570158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.570158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.570158 (E_RNA)
where:
Base-Base interactions energy: -155.980
where: short stacking energy: -90.016
Base-Backbone interact. energy: -0.392
local terms energy: -87.198164
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -146.447835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.447835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.447835 (E_RNA)
where:
Base-Base interactions energy: -65.897
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.190
local terms energy: -80.360487
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -8.194
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: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -147.542316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.542316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.542316 (E_RNA)
where:
Base-Base interactions energy: -70.193
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.202
local terms energy: -77.147034
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -175.973200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.973200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.973200 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.141
local terms energy: -81.810800
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -366.479198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.479198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.479198 (E_RNA)
where:
Base-Base interactions energy: -237.596
where: short stacking energy: -132.149
Base-Backbone interact. energy: -0.004
local terms energy: -128.879971
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -39.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -346.173792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.173792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.173792 (E_RNA)
where:
Base-Base interactions energy: -224.369
where: short stacking energy: -114.966
Base-Backbone interact. energy: -0.358
local terms energy: -121.447212
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -341.255848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.255848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.255848 (E_RNA)
where:
Base-Base interactions energy: -224.829
where: short stacking energy: -101.568
Base-Backbone interact. energy: -0.573
local terms energy: -115.853088
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -315.413637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.413637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.413637 (E_RNA)
where:
Base-Base interactions energy: -216.914
where: short stacking energy: -116.540
Base-Backbone interact. energy: -0.566
local terms energy: -97.933657
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -309.299211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.299211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.299211 (E_RNA)
where:
Base-Base interactions energy: -206.922
where: short stacking energy: -107.884
Base-Backbone interact. energy: -0.118
local terms energy: -102.259172
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -26.785
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: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -263.820103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.820103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.820103 (E_RNA)
where:
Base-Base interactions energy: -171.394
where: short stacking energy: -82.657
Base-Backbone interact. energy: -0.125
local terms energy: -92.300861
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -16.841
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -230.917014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.917014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.917014 (E_RNA)
where:
Base-Base interactions energy: -139.723
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.724
local terms energy: -90.469982
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -156.755549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.755549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.755549 (E_RNA)
where:
Base-Base interactions energy: -87.729
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.428
local terms energy: -68.598615
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -155.738548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.738548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.738548 (E_RNA)
where:
Base-Base interactions energy: -80.955
where: short stacking energy: -60.510
Base-Backbone interact. energy: 0.804
local terms energy: -75.587801
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -182.713438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.713438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.713438 (E_RNA)
where:
Base-Base interactions energy: -98.043
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.575
local terms energy: -84.095011
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -389.770506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.770506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.770506 (E_RNA)
where:
Base-Base interactions energy: -261.992
where: short stacking energy: -134.952
Base-Backbone interact. energy: -1.131
local terms energy: -126.647436
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -39.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -349.690341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.690341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.690341 (E_RNA)
where:
Base-Base interactions energy: -238.243
where: short stacking energy: -105.050
Base-Backbone interact. energy: -0.325
local terms energy: -111.122438
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -330.917016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.917016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.917016 (E_RNA)
where:
Base-Base interactions energy: -213.166
where: short stacking energy: -106.741
Base-Backbone interact. energy: -1.488
local terms energy: -116.262458
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -328.215186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.215186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.215186 (E_RNA)
where:
Base-Base interactions energy: -211.892
where: short stacking energy: -114.391
Base-Backbone interact. energy: -0.003
local terms energy: -116.320333
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -297.575345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.575345 (E_RNA)
where:
Base-Base interactions energy: -192.819
where: short stacking energy: -98.669
Base-Backbone interact. energy: -0.808
local terms energy: -103.948876
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -249.387901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.387901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.387901 (E_RNA)
where:
Base-Base interactions energy: -152.431
where: short stacking energy: -86.007
Base-Backbone interact. energy: -1.046
local terms energy: -95.910527
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -262.110747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.110747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.110747 (E_RNA)
where:
Base-Base interactions energy: -174.904
where: short stacking energy: -80.857
Base-Backbone interact. energy: -0.703
local terms energy: -86.503467
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -172.303810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.303810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.303810 (E_RNA)
where:
Base-Base interactions energy: -93.501
where: short stacking energy: -51.397
Base-Backbone interact. energy: -1.031
local terms energy: -77.771801
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -171.906476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.906476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.906476 (E_RNA)
where:
Base-Base interactions energy: -88.821
where: short stacking energy: -61.146
Base-Backbone interact. energy: -1.033
local terms energy: -82.052090
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -127.906619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.906619 (E_RNA)
where:
Base-Base interactions energy: -52.466
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.372
local terms energy: -75.068257
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -388.848903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.848903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.848903 (E_RNA)
where:
Base-Base interactions energy: -257.705
where: short stacking energy: -138.064
Base-Backbone interact. energy: -0.284
local terms energy: -130.860042
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -38.737
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -364.185324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.185324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.185324 (E_RNA)
where:
Base-Base interactions energy: -248.105
where: short stacking energy: -106.638
Base-Backbone interact. energy: -0.640
local terms energy: -115.440364
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -17.385
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: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -330.684142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.684142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.684142 (E_RNA)
where:
Base-Base interactions energy: -226.486
where: short stacking energy: -114.888
Base-Backbone interact. energy: -0.019
local terms energy: -104.179196
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -28.704
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: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -303.708118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.708118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.708118 (E_RNA)
where:
Base-Base interactions energy: -197.131
where: short stacking energy: -98.280
Base-Backbone interact. energy: -0.987
local terms energy: -105.589119
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -257.661513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.661513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.661513 (E_RNA)
where:
Base-Base interactions energy: -161.047
where: short stacking energy: -81.903
Base-Backbone interact. energy: -0.736
local terms energy: -95.878159
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -16.080
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -291.927691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.927691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.927691 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -106.211
Base-Backbone interact. energy: 7.514
local terms energy: -97.626489
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -17.035
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -309.220248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.220248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.220248 (E_RNA)
where:
Base-Base interactions energy: -210.018
where: short stacking energy: -99.210
Base-Backbone interact. energy: -0.439
local terms energy: -98.763327
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -192.064104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.064104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.064104 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -76.253
Base-Backbone interact. energy: -0.303
local terms energy: -83.594899
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -16.594
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: 92
Temperature: 1.300000
Total energy: -170.943313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.943313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.943313 (E_RNA)
where:
Base-Base interactions energy: -90.878
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.329
local terms energy: -79.736023
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -16.377
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: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -115.161995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.161995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.161995 (E_RNA)
where:
Base-Base interactions energy: -46.382
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.299
local terms energy: -68.481872
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -395.227288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.227288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.227288 (E_RNA)
where:
Base-Base interactions energy: -264.166
where: short stacking energy: -141.135
Base-Backbone interact. energy: -0.022
local terms energy: -131.039158
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -39.408
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: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -363.541449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.541449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.541449 (E_RNA)
where:
Base-Base interactions energy: -254.243
where: short stacking energy: -114.093
Base-Backbone interact. energy: 0.902
local terms energy: -110.200491
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -21.531
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: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -334.223994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.223994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.223994 (E_RNA)
where:
Base-Base interactions energy: -212.779
where: short stacking energy: -120.798
Base-Backbone interact. energy: 0.173
local terms energy: -121.618396
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -33.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -322.568668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.568668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.568668 (E_RNA)
where:
Base-Base interactions energy: -209.598
where: short stacking energy: -106.958
Base-Backbone interact. energy: -1.727
local terms energy: -111.243386
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -26.052
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: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -273.274057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.274057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274057 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -94.630
Base-Backbone interact. energy: -0.406
local terms energy: -103.191720
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -293.019368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.019368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.019368 (E_RNA)
where:
Base-Base interactions energy: -202.843
where: short stacking energy: -99.361
Base-Backbone interact. energy: -0.791
local terms energy: -89.385339
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -16.514
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: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -265.924004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.924004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.924004 (E_RNA)
where:
Base-Base interactions energy: -170.182
where: short stacking energy: -96.668
Base-Backbone interact. energy: -0.010
local terms energy: -95.731934
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -23.619
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: 93
Temperature: 1.250000
Total energy: -140.136891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.136891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.136891 (E_RNA)
where:
Base-Base interactions energy: -66.055
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.364
local terms energy: -73.717325
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -169.590649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.590649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.590649 (E_RNA)
where:
Base-Base interactions energy: -87.742
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.054
local terms energy: -81.795394
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -108.496299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.496299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.496299 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -30.746
Base-Backbone interact. energy: 1.733
local terms energy: -74.060627
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: 4.307
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: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -404.652434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.652434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.652434 (E_RNA)
where:
Base-Base interactions energy: -271.991
where: short stacking energy: -142.487
Base-Backbone interact. energy: 0.005
local terms energy: -132.666723
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -39.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -370.504652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.504652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.504652 (E_RNA)
where:
Base-Base interactions energy: -260.085
where: short stacking energy: -113.343
Base-Backbone interact. energy: -0.247
local terms energy: -110.172222
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -329.398285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.398285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.398285 (E_RNA)
where:
Base-Base interactions energy: -212.346
where: short stacking energy: -113.898
Base-Backbone interact. energy: -0.392
local terms energy: -116.659863
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -29.878
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: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -313.646001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.646001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.646001 (E_RNA)
where:
Base-Base interactions energy: -207.605
where: short stacking energy: -98.099
Base-Backbone interact. energy: -2.204
local terms energy: -103.837768
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -28.218
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: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -319.425578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.425578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.425578 (E_RNA)
where:
Base-Base interactions energy: -214.070
where: short stacking energy: -114.913
Base-Backbone interact. energy: 3.136
local terms energy: -108.491628
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -24.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -252.403461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.403461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.403461 (E_RNA)
where:
Base-Base interactions energy: -157.562
where: short stacking energy: -92.379
Base-Backbone interact. energy: -0.202
local terms energy: -94.639841
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.585
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: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -265.774187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.774187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.774187 (E_RNA)
where:
Base-Base interactions energy: -170.708
where: short stacking energy: -81.037
Base-Backbone interact. energy: -1.537
local terms energy: -93.529143
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -163.625814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.625814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.625814 (E_RNA)
where:
Base-Base interactions energy: -87.554
where: short stacking energy: -62.001
Base-Backbone interact. energy: 0.013
local terms energy: -76.084940
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -133.981129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.981129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.981129 (E_RNA)
where:
Base-Base interactions energy: -52.768
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.512
local terms energy: -80.701665
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -8.485
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: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -134.850560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.850560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.850560 (E_RNA)
where:
Base-Base interactions energy: -58.603
where: short stacking energy: -41.269
Base-Backbone interact. energy: -0.296
local terms energy: -75.951672
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -373.173392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.173392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.173392 (E_RNA)
where:
Base-Base interactions energy: -242.926
where: short stacking energy: -136.915
Base-Backbone interact. energy: -0.961
local terms energy: -129.286733
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -25.167
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -16.243
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: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -358.662374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.662374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.662374 (E_RNA)
where:
Base-Base interactions energy: -252.541
where: short stacking energy: -105.796
Base-Backbone interact. energy: 0.980
local terms energy: -107.102122
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -27.440
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: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -311.649741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.649741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.649741 (E_RNA)
where:
Base-Base interactions energy: -202.022
where: short stacking energy: -100.788
Base-Backbone interact. energy: -0.758
local terms energy: -108.870512
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -299.728849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.728849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.728849 (E_RNA)
where:
Base-Base interactions energy: -191.271
where: short stacking energy: -94.926
Base-Backbone interact. energy: -0.078
local terms energy: -108.379742
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -302.645471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.645471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.645471 (E_RNA)
where:
Base-Base interactions energy: -197.066
where: short stacking energy: -95.683
Base-Backbone interact. energy: -0.296
local terms energy: -105.283422
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -255.426396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.426396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.426396 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -75.880
Base-Backbone interact. energy: 0.475
local terms energy: -103.030868
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -229.034352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.034352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.034352 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -85.585
Base-Backbone interact. energy: 1.389
local terms energy: -93.831277
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -18.877
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: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -152.219319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.219319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.219319 (E_RNA)
where:
Base-Base interactions energy: -59.245
where: short stacking energy: -57.952
Base-Backbone interact. energy: -2.104
local terms energy: -90.869929
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -154.935809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.935809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.935809 (E_RNA)
where:
Base-Base interactions energy: -66.113
where: short stacking energy: -58.188
Base-Backbone interact. energy: -1.057
local terms energy: -87.765589
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -3.757
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: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -118.462609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.462609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.462609 (E_RNA)
where:
Base-Base interactions energy: -48.083
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.716
local terms energy: -69.662700
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -366.870405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.870405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.870405 (E_RNA)
where:
Base-Base interactions energy: -243.380
where: short stacking energy: -129.541
Base-Backbone interact. energy: -0.632
local terms energy: -122.858487
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -34.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -355.146308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.146308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.146308 (E_RNA)
where:
Base-Base interactions energy: -251.353
where: short stacking energy: -116.121
Base-Backbone interact. energy: -0.627
local terms energy: -103.166922
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -331.908581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.908581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.908581 (E_RNA)
where:
Base-Base interactions energy: -213.321
where: short stacking energy: -112.288
Base-Backbone interact. energy: -0.234
local terms energy: -118.353822
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -28.541
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -324.406383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.406383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.406383 (E_RNA)
where:
Base-Base interactions energy: -207.221
where: short stacking energy: -112.717
Base-Backbone interact. energy: -0.003
local terms energy: -117.182364
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -32.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -314.295888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.295888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.295888 (E_RNA)
where:
Base-Base interactions energy: -207.591
where: short stacking energy: -94.552
Base-Backbone interact. energy: -0.298
local terms energy: -106.406156
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -27.732
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -258.930339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.930339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.930339 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -94.458
Base-Backbone interact. energy: -1.308
local terms energy: -96.924401
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -23.042
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: 96
Temperature: 1.200000
Total energy: -228.857981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.857981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.857981 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -83.192
Base-Backbone interact. energy: -0.231
local terms energy: -89.085784
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -18.384
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -163.126201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.126201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.126201 (E_RNA)
where:
Base-Base interactions energy: -81.222
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.157
local terms energy: -81.747159
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -12.977
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -140.436664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.436664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.436664 (E_RNA)
where:
Base-Base interactions energy: -70.602
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.339
local terms energy: -69.495725
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -150.720830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.720830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.720830 (E_RNA)
where:
Base-Base interactions energy: -69.001
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.481
local terms energy: -81.238893
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -9.622
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: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -371.128639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.128639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.128639 (E_RNA)
where:
Base-Base interactions energy: -245.937
where: short stacking energy: -131.816
Base-Backbone interact. energy: -0.011
local terms energy: -125.180614
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -358.688829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.688829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.688829 (E_RNA)
where:
Base-Base interactions energy: -250.543
where: short stacking energy: -108.650
Base-Backbone interact. energy: -0.866
local terms energy: -107.280454
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -349.803490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.803490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.803490 (E_RNA)
where:
Base-Base interactions energy: -232.296
where: short stacking energy: -119.656
Base-Backbone interact. energy: -1.711
local terms energy: -115.797147
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -30.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -320.476265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.476265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.476265 (E_RNA)
where:
Base-Base interactions energy: -206.209
where: short stacking energy: -99.286
Base-Backbone interact. energy: -0.978
local terms energy: -113.288713
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -27.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -308.430897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.430897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.430897 (E_RNA)
where:
Base-Base interactions energy: -204.745
where: short stacking energy: -105.545
Base-Backbone interact. energy: 0.303
local terms energy: -103.989087
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -226.932550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.932550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.932550 (E_RNA)
where:
Base-Base interactions energy: -142.315
where: short stacking energy: -85.393
Base-Backbone interact. energy: -0.828
local terms energy: -83.789477
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -18.389
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: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -236.633425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.633425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.633425 (E_RNA)
where:
Base-Base interactions energy: -157.684
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.095
local terms energy: -78.854191
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -134.991308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.991308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.991308 (E_RNA)
where:
Base-Base interactions energy: -55.370
where: short stacking energy: -50.974
Base-Backbone interact. energy: -2.146
local terms energy: -77.475849
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -2.561
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -138.796327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.796327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.796327 (E_RNA)
where:
Base-Base interactions energy: -56.238
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.474
local terms energy: -82.083983
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -4.886
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -120.230457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.230457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.230457 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.606
local terms energy: -71.405982
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -2.194
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: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -373.333755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.333755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.333755 (E_RNA)
where:
Base-Base interactions energy: -250.008
where: short stacking energy: -124.898
Base-Backbone interact. energy: -0.001
local terms energy: -123.324996
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -32.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -360.710731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.710731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.710731 (E_RNA)
where:
Base-Base interactions energy: -249.963
where: short stacking energy: -113.255
Base-Backbone interact. energy: 0.375
local terms energy: -111.122602
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -28.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -344.460891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.460891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.460891 (E_RNA)
where:
Base-Base interactions energy: -236.056
where: short stacking energy: -118.717
Base-Backbone interact. energy: -0.524
local terms energy: -107.880502
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -25.971
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: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -324.841974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.841974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.841974 (E_RNA)
where:
Base-Base interactions energy: -216.874
where: short stacking energy: -106.449
Base-Backbone interact. energy: -0.143
local terms energy: -107.824962
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -27.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -297.933458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.933458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.933458 (E_RNA)
where:
Base-Base interactions energy: -196.838
where: short stacking energy: -105.034
Base-Backbone interact. energy: -0.175
local terms energy: -100.920921
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -24.874
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: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -262.194537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.194537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.194537 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -85.133
Base-Backbone interact. energy: -0.505
local terms energy: -100.953758
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -239.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892297 (E_RNA)
where:
Base-Base interactions energy: -153.187
where: short stacking energy: -79.380
Base-Backbone interact. energy: 2.533
local terms energy: -89.238533
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -19.823
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -133.735707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.735707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.735707 (E_RNA)
where:
Base-Base interactions energy: -56.634
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.175
local terms energy: -76.927244
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -3.735
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: 98
Temperature: 1.300000
Total energy: -118.880733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.880733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.880733 (E_RNA)
where:
Base-Base interactions energy: -46.484
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.684
local terms energy: -71.712428
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -1.898
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: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -147.547733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.547733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.547733 (E_RNA)
where:
Base-Base interactions energy: -76.726
where: short stacking energy: -39.547
Base-Backbone interact. energy: -0.113
local terms energy: -70.709284
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: 3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -378.278186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.278186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.278186 (E_RNA)
where:
Base-Base interactions energy: -253.353
where: short stacking energy: -130.471
Base-Backbone interact. energy: -0.014
local terms energy: -124.911770
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -32.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -337.414628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.414628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.414628 (E_RNA)
where:
Base-Base interactions energy: -223.547
where: short stacking energy: -117.608
Base-Backbone interact. energy: -0.084
local terms energy: -113.783515
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -345.699406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.699406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.699406 (E_RNA)
where:
Base-Base interactions energy: -237.320
where: short stacking energy: -107.757
Base-Backbone interact. energy: -0.471
local terms energy: -107.907527
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -26.970
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: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -312.505208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.505208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.505208 (E_RNA)
where:
Base-Base interactions energy: -222.128
where: short stacking energy: -99.505
Base-Backbone interact. energy: -0.241
local terms energy: -90.135564
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -290.685105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.685105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.685105 (E_RNA)
where:
Base-Base interactions energy: -181.385
where: short stacking energy: -94.592
Base-Backbone interact. energy: 0.746
local terms energy: -110.045862
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -25.257
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -245.669996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.669996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.669996 (E_RNA)
where:
Base-Base interactions energy: -156.131
where: short stacking energy: -83.080
Base-Backbone interact. energy: 0.120
local terms energy: -89.658701
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -11.646
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: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -233.590106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.590106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.590106 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -78.346
Base-Backbone interact. energy: 0.517
local terms energy: -91.701176
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -11.723
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: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -139.235476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.235476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.235476 (E_RNA)
where:
Base-Base interactions energy: -57.937
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.233
local terms energy: -81.065297
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -125.657690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.657690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.657690 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.317
local terms energy: -79.504286
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -170.792571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.792571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.792571 (E_RNA)
where:
Base-Base interactions energy: -99.281
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.254
local terms energy: -71.257279
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -373.454101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.454101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.454101 (E_RNA)
where:
Base-Base interactions energy: -253.599
where: short stacking energy: -118.897
Base-Backbone interact. energy: -0.444
local terms energy: -119.411051
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -354.719506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.719506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.719506 (E_RNA)
where:
Base-Base interactions energy: -242.258
where: short stacking energy: -128.511
Base-Backbone interact. energy: -0.290
local terms energy: -112.171551
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -32.916
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -349.743640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.743640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.743640 (E_RNA)
where:
Base-Base interactions energy: -242.650
where: short stacking energy: -103.815
Base-Backbone interact. energy: -0.875
local terms energy: -106.218313
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -312.999498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.999498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.999498 (E_RNA)
where:
Base-Base interactions energy: -215.091
where: short stacking energy: -103.601
Base-Backbone interact. energy: 1.822
local terms energy: -99.730762
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -289.786346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.786346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.786346 (E_RNA)
where:
Base-Base interactions energy: -195.799
where: short stacking energy: -103.285
Base-Backbone interact. energy: -0.161
local terms energy: -93.826441
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -25.499
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -216.774342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.774342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.774342 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.742
local terms energy: -76.282120
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -6.138
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: 100
Temperature: 1.200000
Total energy: -251.917955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.917955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.917955 (E_RNA)
where:
Base-Base interactions energy: -160.507
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.291
local terms energy: -91.119817
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -126.018226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.018226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.018226 (E_RNA)
where:
Base-Base interactions energy: -54.162
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.139
local terms energy: -71.717276
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -160.788596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.788596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.788596 (E_RNA)
where:
Base-Base interactions energy: -74.455
where: short stacking energy: -54.646
Base-Backbone interact. energy: -0.254
local terms energy: -86.079253
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -122.716829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.716829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.716829 (E_RNA)
where:
Base-Base interactions energy: -51.990
where: short stacking energy: -49.399
Base-Backbone interact. energy: 1.992
local terms energy: -72.718553
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -3.143
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: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -385.892155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.892155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.892155 (E_RNA)
where:
Base-Base interactions energy: -260.059
where: short stacking energy: -129.356
Base-Backbone interact. energy: -0.651
local terms energy: -125.182693
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -32.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -353.993722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.993722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.993722 (E_RNA)
where:
Base-Base interactions energy: -239.788
where: short stacking energy: -128.034
Base-Backbone interact. energy: -0.123
local terms energy: -114.082875
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -30.271
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: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -353.079754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.079754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.079754 (E_RNA)
where:
Base-Base interactions energy: -243.262
where: short stacking energy: -112.885
Base-Backbone interact. energy: -0.464
local terms energy: -109.353626
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -292.442834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.442834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.442834 (E_RNA)
where:
Base-Base interactions energy: -190.834
where: short stacking energy: -99.326
Base-Backbone interact. energy: 1.487
local terms energy: -103.095384
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -310.782009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.782009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.782009 (E_RNA)
where:
Base-Base interactions energy: -200.797
where: short stacking energy: -99.461
Base-Backbone interact. energy: -0.118
local terms energy: -109.866607
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -273.849305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.849305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.849305 (E_RNA)
where:
Base-Base interactions energy: -174.338
where: short stacking energy: -81.304
Base-Backbone interact. energy: -0.929
local terms energy: -98.582342
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -224.676804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.676804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.676804 (E_RNA)
where:
Base-Base interactions energy: -128.984
where: short stacking energy: -74.292
Base-Backbone interact. energy: -1.062
local terms energy: -94.630737
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -18.133
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: 101
Temperature: 1.250000
Total energy: -182.713874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.713874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.713874 (E_RNA)
where:
Base-Base interactions energy: -96.693
where: short stacking energy: -71.544
Base-Backbone interact. energy: -0.505
local terms energy: -85.516408
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -141.511060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.511060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.511060 (E_RNA)
where:
Base-Base interactions energy: -55.941
where: short stacking energy: -52.928
Base-Backbone interact. energy: 0.931
local terms energy: -86.501495
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -127.304036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.304036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.304036 (E_RNA)
where:
Base-Base interactions energy: -53.085
where: short stacking energy: -53.085
Base-Backbone interact. energy: -0.087
local terms energy: -74.132448
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -377.161083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.161083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.161083 (E_RNA)
where:
Base-Base interactions energy: -255.991
where: short stacking energy: -127.411
Base-Backbone interact. energy: -0.152
local terms energy: -121.018290
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -30.613
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: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -337.894097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.894097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.894097 (E_RNA)
where:
Base-Base interactions energy: -219.001
where: short stacking energy: -115.066
Base-Backbone interact. energy: -1.061
local terms energy: -117.832600
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -363.631622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.631622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.631622 (E_RNA)
where:
Base-Base interactions energy: -255.154
where: short stacking energy: -109.174
Base-Backbone interact. energy: 0.654
local terms energy: -109.130886
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -27.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -313.005154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.005154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.005154 (E_RNA)
where:
Base-Base interactions energy: -205.875
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.039
local terms energy: -107.090512
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -27.941
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: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -302.306930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.306930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.306930 (E_RNA)
where:
Base-Base interactions energy: -196.402
where: short stacking energy: -97.348
Base-Backbone interact. energy: -0.478
local terms energy: -105.426855
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -23.468
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: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -266.743369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.743369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.743369 (E_RNA)
where:
Base-Base interactions energy: -167.784
where: short stacking energy: -94.556
Base-Backbone interact. energy: -0.961
local terms energy: -97.997743
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -233.574147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.574147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.574147 (E_RNA)
where:
Base-Base interactions energy: -136.904
where: short stacking energy: -82.007
Base-Backbone interact. energy: -0.071
local terms energy: -96.599296
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -13.031
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -179.762422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.762422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.762422 (E_RNA)
where:
Base-Base interactions energy: -102.727
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.322
local terms energy: -76.714293
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -137.864997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.864997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.864997 (E_RNA)
where:
Base-Base interactions energy: -53.886
where: short stacking energy: -53.886
Base-Backbone interact. energy: 0.077
local terms energy: -84.055709
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -8.852
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: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -132.120524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.120524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.120524 (E_RNA)
where:
Base-Base interactions energy: -52.229
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.187
local terms energy: -79.704059
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -367.345244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.345244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.345244 (E_RNA)
where:
Base-Base interactions energy: -246.598
where: short stacking energy: -134.902
Base-Backbone interact. energy: -0.961
local terms energy: -119.786158
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -30.778
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: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -365.065507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.065507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.065507 (E_RNA)
where:
Base-Base interactions energy: -245.678
where: short stacking energy: -105.336
Base-Backbone interact. energy: -0.497
local terms energy: -118.891001
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -331.883239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.883239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.883239 (E_RNA)
where:
Base-Base interactions energy: -213.706
where: short stacking energy: -108.943
Base-Backbone interact. energy: 0.246
local terms energy: -118.423655
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -29.704
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: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -316.237101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.237101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.237101 (E_RNA)
where:
Base-Base interactions energy: -213.384
where: short stacking energy: -109.756
Base-Backbone interact. energy: 0.394
local terms energy: -103.247283
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -296.425820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.425820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.425820 (E_RNA)
where:
Base-Base interactions energy: -176.804
where: short stacking energy: -99.856
Base-Backbone interact. energy: -0.407
local terms energy: -119.213975
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -239.892300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892300 (E_RNA)
where:
Base-Base interactions energy: -137.190
where: short stacking energy: -78.560
Base-Backbone interact. energy: -0.118
local terms energy: -102.584215
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -246.548175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.548175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.548175 (E_RNA)
where:
Base-Base interactions energy: -170.580
where: short stacking energy: -86.796
Base-Backbone interact. energy: -1.015
local terms energy: -74.953349
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -190.422209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.422209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.422209 (E_RNA)
where:
Base-Base interactions energy: -110.376
where: short stacking energy: -61.142
Base-Backbone interact. energy: 1.512
local terms energy: -81.558458
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -137.760606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.760606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.760606 (E_RNA)
where:
Base-Base interactions energy: -62.302
where: short stacking energy: -60.623
Base-Backbone interact. energy: -0.135
local terms energy: -75.323302
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -122.547293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.547293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.547293 (E_RNA)
where:
Base-Base interactions energy: -45.439
where: short stacking energy: -42.478
Base-Backbone interact. energy: -0.491
local terms energy: -76.617497
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -367.510509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.510509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.510509 (E_RNA)
where:
Base-Base interactions energy: -240.452
where: short stacking energy: -121.092
Base-Backbone interact. energy: -0.002
local terms energy: -127.056647
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -367.749177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.749177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.749177 (E_RNA)
where:
Base-Base interactions energy: -259.328
where: short stacking energy: -120.804
Base-Backbone interact. energy: -1.024
local terms energy: -107.396655
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -25.754
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: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -335.651347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.651347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.651347 (E_RNA)
where:
Base-Base interactions energy: -221.045
where: short stacking energy: -112.496
Base-Backbone interact. energy: -1.643
local terms energy: -112.963124
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -308.608853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.608853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.608853 (E_RNA)
where:
Base-Base interactions energy: -204.683
where: short stacking energy: -91.761
Base-Backbone interact. energy: 0.154
local terms energy: -104.080676
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -316.849372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.849372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.849372 (E_RNA)
where:
Base-Base interactions energy: -212.295
where: short stacking energy: -106.136
Base-Backbone interact. energy: -0.582
local terms energy: -103.972038
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -249.136737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.136737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.136737 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -87.951
Base-Backbone interact. energy: -0.569
local terms energy: -107.781960
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -19.721
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -212.395494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.395494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.395494 (E_RNA)
where:
Base-Base interactions energy: -128.967
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.327
local terms energy: -83.101860
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -208.157655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.157655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157655 (E_RNA)
where:
Base-Base interactions energy: -131.463
where: short stacking energy: -76.339
Base-Backbone interact. energy: -0.255
local terms energy: -76.439277
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -8.938
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: 104
Temperature: 1.300000
Total energy: -134.768499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.768499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.768499 (E_RNA)
where:
Base-Base interactions energy: -53.678
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.078
local terms energy: -81.012044
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -115.376796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.376796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.376796 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -46.726
Base-Backbone interact. energy: 0.823
local terms energy: -69.473733
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -1.347
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -375.596535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.596535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.596535 (E_RNA)
where:
Base-Base interactions energy: -252.107
where: short stacking energy: -133.518
Base-Backbone interact. energy: -0.069
local terms energy: -123.419920
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -32.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -355.988572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.988572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.988572 (E_RNA)
where:
Base-Base interactions energy: -244.686
where: short stacking energy: -106.066
Base-Backbone interact. energy: -2.148
local terms energy: -109.154919
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -23.882
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: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -332.785050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.785050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.785050 (E_RNA)
where:
Base-Base interactions energy: -218.989
where: short stacking energy: -112.187
Base-Backbone interact. energy: -1.949
local terms energy: -111.847133
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -312.133995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.133995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.133995 (E_RNA)
where:
Base-Base interactions energy: -211.679
where: short stacking energy: -95.740
Base-Backbone interact. energy: -0.898
local terms energy: -99.556390
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -20.597
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -325.319821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.319821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.319821 (E_RNA)
where:
Base-Base interactions energy: -223.640
where: short stacking energy: -118.626
Base-Backbone interact. energy: -0.574
local terms energy: -101.106410
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -31.095
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -253.441743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.441743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.441743 (E_RNA)
where:
Base-Base interactions energy: -163.661
where: short stacking energy: -93.211
Base-Backbone interact. energy: -0.583
local terms energy: -89.196830
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -226.867892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.867892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.867892 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -71.432
Base-Backbone interact. energy: 2.050
local terms energy: -87.138131
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -8.972
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: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -218.192116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.192116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.192116 (E_RNA)
where:
Base-Base interactions energy: -141.164
where: short stacking energy: -77.767
Base-Backbone interact. energy: -0.671
local terms energy: -76.357108
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -117.168539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.168539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.168539 (E_RNA)
where:
Base-Base interactions energy: -53.462
where: short stacking energy: -53.462
Base-Backbone interact. energy: -0.358
local terms energy: -63.348252
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -1.766
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: 105
Temperature: 1.350000
Total energy: -138.115816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.115816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.115816 (E_RNA)
where:
Base-Base interactions energy: -65.242
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.313
local terms energy: -72.561311
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: 0.176
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: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -361.959470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.959470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.959470 (E_RNA)
where:
Base-Base interactions energy: -245.119
where: short stacking energy: -111.557
Base-Backbone interact. energy: -0.886
local terms energy: -115.954623
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -26.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -372.654720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.654720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.654720 (E_RNA)
where:
Base-Base interactions energy: -247.638
where: short stacking energy: -131.986
Base-Backbone interact. energy: -0.051
local terms energy: -124.965699
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -324.690605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.690605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.690605 (E_RNA)
where:
Base-Base interactions energy: -212.509
where: short stacking energy: -103.478
Base-Backbone interact. energy: 1.180
local terms energy: -113.361037
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -23.378
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: 106
Temperature: 1.050000
Total energy: -325.216077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.216077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.216077 (E_RNA)
where:
Base-Base interactions energy: -209.324
where: short stacking energy: -97.883
Base-Backbone interact. energy: -1.182
local terms energy: -114.709548
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -24.734
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: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -291.467102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.467102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.467102 (E_RNA)
where:
Base-Base interactions energy: -184.781
where: short stacking energy: -101.311
Base-Backbone interact. energy: -0.279
local terms energy: -106.406869
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -24.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -212.199376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.199376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.199376 (E_RNA)
where:
Base-Base interactions energy: -114.326
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.783
local terms energy: -97.090348
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -16.216
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: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -213.051065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.051065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.051065 (E_RNA)
where:
Base-Base interactions energy: -119.972
where: short stacking energy: -76.366
Base-Backbone interact. energy: -0.564
local terms energy: -92.515088
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -13.556
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: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -202.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528293 (E_RNA)
where:
Base-Base interactions energy: -103.202
where: short stacking energy: -58.752
Base-Backbone interact. energy: 0.478
local terms energy: -99.803941
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -10.134
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: 106
Temperature: 1.300000
Total energy: -135.573955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.573955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.573955 (E_RNA)
where:
Base-Base interactions energy: -47.273
where: short stacking energy: -47.309
Base-Backbone interact. energy: 0.130
local terms energy: -88.430582
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -134.568431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.568431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.568431 (E_RNA)
where:
Base-Base interactions energy: -59.151
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.037
local terms energy: -75.380806
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -362.832706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.832706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.832706 (E_RNA)
where:
Base-Base interactions energy: -252.827
where: short stacking energy: -114.418
Base-Backbone interact. energy: -0.209
local terms energy: -109.796668
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -343.986640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.986640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.986640 (E_RNA)
where:
Base-Base interactions energy: -226.042
where: short stacking energy: -126.045
Base-Backbone interact. energy: -0.084
local terms energy: -117.861253
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -29.136
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: 107
Temperature: 1.000000
Total energy: -325.056014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.056014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.056014 (E_RNA)
where:
Base-Base interactions energy: -213.787
where: short stacking energy: -100.081
Base-Backbone interact. energy: -0.661
local terms energy: -110.608040
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -15.507
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -310.202854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.202854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.202854 (E_RNA)
where:
Base-Base interactions energy: -196.397
where: short stacking energy: -96.619
Base-Backbone interact. energy: 0.241
local terms energy: -114.047191
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -28.956
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -316.454995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.454995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.454995 (E_RNA)
where:
Base-Base interactions energy: -208.447
where: short stacking energy: -111.307
Base-Backbone interact. energy: -0.868
local terms energy: -107.139756
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -248.549524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.549524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.549524 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -85.375
Base-Backbone interact. energy: -0.914
local terms energy: -91.164094
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.707
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: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -184.806044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.806044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.806044 (E_RNA)
where:
Base-Base interactions energy: -101.734
where: short stacking energy: -61.141
Base-Backbone interact. energy: -0.530
local terms energy: -82.541628
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -180.920284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.920284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.920284 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.183
local terms energy: -83.589821
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -139.317055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.317055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.317055 (E_RNA)
where:
Base-Base interactions energy: -66.630
where: short stacking energy: -53.655
Base-Backbone interact. energy: 0.253
local terms energy: -72.939586
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -115.529932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.529932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.529932 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.384
local terms energy: -80.010895
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -364.245223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.245223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.245223 (E_RNA)
where:
Base-Base interactions energy: -247.753
where: short stacking energy: -113.530
Base-Backbone interact. energy: -0.885
local terms energy: -115.606683
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -28.319
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: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -350.859551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.859551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.859551 (E_RNA)
where:
Base-Base interactions energy: -231.013
where: short stacking energy: -127.475
Base-Backbone interact. energy: -0.323
local terms energy: -119.523277
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -325.790698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.790698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.790698 (E_RNA)
where:
Base-Base interactions energy: -211.370
where: short stacking energy: -110.168
Base-Backbone interact. energy: -0.075
local terms energy: -114.345633
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -315.454566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.454566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.454566 (E_RNA)
where:
Base-Base interactions energy: -200.847
where: short stacking energy: -105.705
Base-Backbone interact. energy: 0.078
local terms energy: -114.685674
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -319.030965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.030965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.030965 (E_RNA)
where:
Base-Base interactions energy: -217.575
where: short stacking energy: -113.288
Base-Backbone interact. energy: -0.994
local terms energy: -100.462197
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -30.213
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: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -222.398731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.398731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.398731 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -85.190
Base-Backbone interact. energy: -0.261
local terms energy: -93.887473
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -16.036
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: 108
Temperature: 1.200000
Total energy: -218.069682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.069682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.069682 (E_RNA)
where:
Base-Base interactions energy: -116.530
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.415
local terms energy: -101.124372
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -173.008111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.008111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.008111 (E_RNA)
where:
Base-Base interactions energy: -92.565
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.120
local terms energy: -80.323142
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -129.362467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.362467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.362467 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.493
local terms energy: -69.552121
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -128.700304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.700304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.700304 (E_RNA)
where:
Base-Base interactions energy: -62.112
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.280
local terms energy: -66.307868
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -356.133885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.133885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.133885 (E_RNA)
where:
Base-Base interactions energy: -245.494
where: short stacking energy: -116.797
Base-Backbone interact. energy: -0.292
local terms energy: -110.348275
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -349.651112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.651112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.651112 (E_RNA)
where:
Base-Base interactions energy: -228.523
where: short stacking energy: -124.666
Base-Backbone interact. energy: -1.703
local terms energy: -119.425505
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -29.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -320.049210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.049210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.049210 (E_RNA)
where:
Base-Base interactions energy: -208.092
where: short stacking energy: -107.286
Base-Backbone interact. energy: 0.629
local terms energy: -112.585998
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -23.819
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -310.404404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.404404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.404404 (E_RNA)
where:
Base-Base interactions energy: -207.604
where: short stacking energy: -115.655
Base-Backbone interact. energy: -0.368
local terms energy: -102.432618
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -320.949477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.949477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.949477 (E_RNA)
where:
Base-Base interactions energy: -215.991
where: short stacking energy: -112.391
Base-Backbone interact. energy: 0.033
local terms energy: -104.991432
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -245.629624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.629624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.629624 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -86.417
Base-Backbone interact. energy: -0.309
local terms energy: -92.436947
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -17.705
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: 109
Temperature: 1.200000
Total energy: -228.255895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.255895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.255895 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.241
local terms energy: -91.330091
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -15.207
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: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -167.875612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.875612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875612 (E_RNA)
where:
Base-Base interactions energy: -85.825
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.236
local terms energy: -81.815606
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -161.028881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.028881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.028881 (E_RNA)
where:
Base-Base interactions energy: -78.650
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.181
local terms energy: -82.198225
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -9.663
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: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -137.267902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.267902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.267902 (E_RNA)
where:
Base-Base interactions energy: -68.608
where: short stacking energy: -29.695
Base-Backbone interact. energy: -1.564
local terms energy: -67.095906
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -387.762151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.762151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.762151 (E_RNA)
where:
Base-Base interactions energy: -257.393
where: short stacking energy: -134.838
Base-Backbone interact. energy: -1.305
local terms energy: -129.064590
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -37.143
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -343.546101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.546101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.546101 (E_RNA)
where:
Base-Base interactions energy: -236.455
where: short stacking energy: -112.364
Base-Backbone interact. energy: -0.136
local terms energy: -106.955261
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -27.360
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: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -338.977875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.977875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.977875 (E_RNA)
where:
Base-Base interactions energy: -216.453
where: short stacking energy: -115.357
Base-Backbone interact. energy: -1.253
local terms energy: -121.272051
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -33.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -321.535517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.535517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.535517 (E_RNA)
where:
Base-Base interactions energy: -209.410
where: short stacking energy: -120.435
Base-Backbone interact. energy: -0.031
local terms energy: -112.094395
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -287.281048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.281048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.281048 (E_RNA)
where:
Base-Base interactions energy: -195.739
where: short stacking energy: -90.302
Base-Backbone interact. energy: -0.589
local terms energy: -90.953644
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -262.285076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.285076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.285076 (E_RNA)
where:
Base-Base interactions energy: -165.524
where: short stacking energy: -102.216
Base-Backbone interact. energy: -0.038
local terms energy: -96.722456
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -229.513603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.513603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.513603 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -85.091
Base-Backbone interact. energy: -0.692
local terms energy: -88.512842
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -148.723614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.723614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.723614 (E_RNA)
where:
Base-Base interactions energy: -53.494
where: short stacking energy: -51.875
Base-Backbone interact. energy: -0.833
local terms energy: -94.396199
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -13.907
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: 110
Temperature: 1.300000
Total energy: -128.004118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.004118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.004118 (E_RNA)
where:
Base-Base interactions energy: -50.021
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.272
local terms energy: -77.710676
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -3.953
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: 110
Temperature: 1.350000
Total energy: -161.668485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.668485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.668485 (E_RNA)
where:
Base-Base interactions energy: -86.432
where: short stacking energy: -51.653
Base-Backbone interact. energy: 1.079
local terms energy: -76.315573
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -388.905809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.905809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.905809 (E_RNA)
where:
Base-Base interactions energy: -262.287
where: short stacking energy: -136.857
Base-Backbone interact. energy: -0.322
local terms energy: -126.296674
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -35.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -357.585286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.585286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.585286 (E_RNA)
where:
Base-Base interactions energy: -227.254
where: short stacking energy: -131.705
Base-Backbone interact. energy: 0.380
local terms energy: -130.711126
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -18.410
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: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -346.060679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.060679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.060679 (E_RNA)
where:
Base-Base interactions energy: -242.564
where: short stacking energy: -114.940
Base-Backbone interact. energy: -0.290
local terms energy: -103.207151
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -323.880372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.880372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.880372 (E_RNA)
where:
Base-Base interactions energy: -217.387
where: short stacking energy: -124.467
Base-Backbone interact. energy: -0.069
local terms energy: -106.424558
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -31.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -302.428344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.428344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.428344 (E_RNA)
where:
Base-Base interactions energy: -197.697
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.024
local terms energy: -104.707189
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -249.107203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.107203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.107203 (E_RNA)
where:
Base-Base interactions energy: -161.396
where: short stacking energy: -86.922
Base-Backbone interact. energy: -0.375
local terms energy: -87.336289
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -237.552942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.552942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.552942 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -79.283
Base-Backbone interact. energy: -0.263
local terms energy: -91.469882
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -165.226503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.226503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.226503 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.151
local terms energy: -76.776867
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -134.912098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.912098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.912098 (E_RNA)
where:
Base-Base interactions energy: -57.979
where: short stacking energy: -43.560
Base-Backbone interact. energy: 1.028
local terms energy: -77.961692
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -2.476
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: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -173.874681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.874681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.874681 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -58.598
Base-Backbone interact. energy: -0.016
local terms energy: -83.817234
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -385.493828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.493828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.493828 (E_RNA)
where:
Base-Base interactions energy: -265.640
where: short stacking energy: -131.898
Base-Backbone interact. energy: -1.295
local terms energy: -118.558820
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -35.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -358.741098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.741098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.741098 (E_RNA)
where:
Base-Base interactions energy: -238.438
where: short stacking energy: -132.307
Base-Backbone interact. energy: -0.228
local terms energy: -120.075113
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -32.948
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: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -321.644735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.644735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.644735 (E_RNA)
where:
Base-Base interactions energy: -217.268
where: short stacking energy: -114.033
Base-Backbone interact. energy: -0.036
local terms energy: -104.341337
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -27.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -343.492154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.492154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.492154 (E_RNA)
where:
Base-Base interactions energy: -240.493
where: short stacking energy: -105.430
Base-Backbone interact. energy: -0.546
local terms energy: -102.453189
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -323.242225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.242225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.242225 (E_RNA)
where:
Base-Base interactions energy: -220.862
where: short stacking energy: -112.273
Base-Backbone interact. energy: 0.568
local terms energy: -102.948203
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -19.382
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: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -251.148614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.148614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.148614 (E_RNA)
where:
Base-Base interactions energy: -153.567
where: short stacking energy: -89.479
Base-Backbone interact. energy: -0.649
local terms energy: -96.931996
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -226.689202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.689202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.689202 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -77.143
Base-Backbone interact. energy: -0.294
local terms energy: -82.951115
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -175.584953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.584953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.584953 (E_RNA)
where:
Base-Base interactions energy: -89.129
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.604
local terms energy: -85.851206
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -172.215988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215988 (E_RNA)
where:
Base-Base interactions energy: -100.198
where: short stacking energy: -60.548
Base-Backbone interact. energy: 2.552
local terms energy: -74.569848
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -120.002183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.002183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.002183 (E_RNA)
where:
Base-Base interactions energy: -45.369
where: short stacking energy: -39.368
Base-Backbone interact. energy: -0.151
local terms energy: -74.482465
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: 1.423
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: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -393.363591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.363591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.363591 (E_RNA)
where:
Base-Base interactions energy: -264.055
where: short stacking energy: -129.465
Base-Backbone interact. energy: -0.039
local terms energy: -129.269049
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -36.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -352.408838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.408838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.408838 (E_RNA)
where:
Base-Base interactions energy: -227.131
where: short stacking energy: -122.047
Base-Backbone interact. energy: -1.002
local terms energy: -124.276800
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -35.889
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: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -352.987228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.987228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.987228 (E_RNA)
where:
Base-Base interactions energy: -232.394
where: short stacking energy: -121.184
Base-Backbone interact. energy: -0.001
local terms energy: -120.592969
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -350.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.200601 (E_RNA)
where:
Base-Base interactions energy: -241.805
where: short stacking energy: -113.391
Base-Backbone interact. energy: -0.717
local terms energy: -107.679195
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -22.985
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: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -327.821660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.821660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.821660 (E_RNA)
where:
Base-Base interactions energy: -218.260
where: short stacking energy: -110.884
Base-Backbone interact. energy: -0.568
local terms energy: -108.993729
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -24.893
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: 113
Temperature: 1.150000
Total energy: -252.452407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.452407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.452407 (E_RNA)
where:
Base-Base interactions energy: -160.138
where: short stacking energy: -82.201
Base-Backbone interact. energy: -0.412
local terms energy: -91.902342
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -18.271
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: 113
Temperature: 1.200000
Total energy: -225.543134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.543134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543134 (E_RNA)
where:
Base-Base interactions energy: -142.880
where: short stacking energy: -70.679
Base-Backbone interact. energy: -0.626
local terms energy: -82.037967
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -207.458624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.458624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.458624 (E_RNA)
where:
Base-Base interactions energy: -132.069
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.103
local terms energy: -75.286916
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -5.480
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -182.212550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.212550 (E_RNA)
where:
Base-Base interactions energy: -97.379
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.183
local terms energy: -84.649880
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -9.013
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: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -123.919461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.919461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.919461 (E_RNA)
where:
Base-Base interactions energy: -51.227
where: short stacking energy: -51.227
Base-Backbone interact. energy: -0.373
local terms energy: -72.319556
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -398.900784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.900784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.900784 (E_RNA)
where:
Base-Base interactions energy: -271.153
where: short stacking energy: -138.707
Base-Backbone interact. energy: -0.128
local terms energy: -127.620209
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -345.519270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.519270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.519270 (E_RNA)
where:
Base-Base interactions energy: -227.713
where: short stacking energy: -110.142
Base-Backbone interact. energy: -0.267
local terms energy: -117.539048
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -34.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -349.461040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.461040 (E_RNA)
where:
Base-Base interactions energy: -236.349
where: short stacking energy: -104.649
Base-Backbone interact. energy: -0.732
local terms energy: -112.379100
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -330.492757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.492757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.492757 (E_RNA)
where:
Base-Base interactions energy: -212.539
where: short stacking energy: -111.309
Base-Backbone interact. energy: -0.489
local terms energy: -117.464842
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -29.007
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: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -314.728593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.728593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.728593 (E_RNA)
where:
Base-Base interactions energy: -211.676
where: short stacking energy: -108.002
Base-Backbone interact. energy: -0.314
local terms energy: -102.738333
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -263.589106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.589106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.589106 (E_RNA)
where:
Base-Base interactions energy: -169.592
where: short stacking energy: -92.826
Base-Backbone interact. energy: -1.808
local terms energy: -92.189333
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -14.890
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: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -204.962723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.962723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.962723 (E_RNA)
where:
Base-Base interactions energy: -116.337
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.018
local terms energy: -88.607086
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -198.296448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296448 (E_RNA)
where:
Base-Base interactions energy: -119.550
where: short stacking energy: -72.610
Base-Backbone interact. energy: 2.285
local terms energy: -81.031046
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -134.147294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.147294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.147294 (E_RNA)
where:
Base-Base interactions energy: -48.330
where: short stacking energy: -46.835
Base-Backbone interact. energy: -0.086
local terms energy: -85.730919
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -156.966541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.966541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.966541 (E_RNA)
where:
Base-Base interactions energy: -71.954
where: short stacking energy: -45.217
Base-Backbone interact. energy: 0.186
local terms energy: -85.197820
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -394.748370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.748370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.748370 (E_RNA)
where:
Base-Base interactions energy: -264.348
where: short stacking energy: -137.439
Base-Backbone interact. energy: -0.279
local terms energy: -130.121195
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -37.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -355.620360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.620360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.620360 (E_RNA)
where:
Base-Base interactions energy: -243.837
where: short stacking energy: -112.052
Base-Backbone interact. energy: -0.578
local terms energy: -111.204942
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -27.144
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: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -340.157517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.157517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.157517 (E_RNA)
where:
Base-Base interactions energy: -215.700
where: short stacking energy: -121.570
Base-Backbone interact. energy: -0.180
local terms energy: -124.276818
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -32.021
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -333.126286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.126286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.126286 (E_RNA)
where:
Base-Base interactions energy: -215.112
where: short stacking energy: -117.609
Base-Backbone interact. energy: -0.335
local terms energy: -117.679634
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -26.810
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: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -314.830089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.830089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.830089 (E_RNA)
where:
Base-Base interactions energy: -208.445
where: short stacking energy: -108.614
Base-Backbone interact. energy: -0.770
local terms energy: -105.614992
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -276.104194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.104194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.104194 (E_RNA)
where:
Base-Base interactions energy: -173.098
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.349
local terms energy: -102.657095
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -221.111651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.111651 (E_RNA)
where:
Base-Base interactions energy: -145.261
where: short stacking energy: -72.146
Base-Backbone interact. energy: -0.345
local terms energy: -75.506113
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -184.060592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.060592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.060592 (E_RNA)
where:
Base-Base interactions energy: -105.336
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.199
local terms energy: -78.525816
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -134.240989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.240989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.240989 (E_RNA)
where:
Base-Base interactions energy: -63.081
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.357
local terms energy: -70.802802
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -122.288382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.288382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.288382 (E_RNA)
where:
Base-Base interactions energy: -54.011
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.402
local terms energy: -67.874791
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -392.208032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.208032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.208032 (E_RNA)
where:
Base-Base interactions energy: -267.060
where: short stacking energy: -135.519
Base-Backbone interact. energy: -0.002
local terms energy: -125.145881
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -367.861564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.861564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.861564 (E_RNA)
where:
Base-Base interactions energy: -251.081
where: short stacking energy: -106.346
Base-Backbone interact. energy: -1.084
local terms energy: -115.696831
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -351.475900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.475900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.475900 (E_RNA)
where:
Base-Base interactions energy: -233.292
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.300
local terms energy: -117.884809
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -33.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -339.301827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.301827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.301827 (E_RNA)
where:
Base-Base interactions energy: -222.507
where: short stacking energy: -129.154
Base-Backbone interact. energy: 0.045
local terms energy: -116.839358
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -33.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -310.091965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.091965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.091965 (E_RNA)
where:
Base-Base interactions energy: -210.741
where: short stacking energy: -95.221
Base-Backbone interact. energy: -0.463
local terms energy: -98.888064
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -18.829
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -266.576380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.576380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.576380 (E_RNA)
where:
Base-Base interactions energy: -170.984
where: short stacking energy: -90.117
Base-Backbone interact. energy: 0.018
local terms energy: -95.610299
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -15.050
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -211.624788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.624788 (E_RNA)
where:
Base-Base interactions energy: -130.365
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.897
local terms energy: -80.362024
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -187.165949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.165949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.165949 (E_RNA)
where:
Base-Base interactions energy: -102.059
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.198
local terms energy: -84.908540
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -131.781454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.781454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.781454 (E_RNA)
where:
Base-Base interactions energy: -51.926
where: short stacking energy: -48.526
Base-Backbone interact. energy: -1.078
local terms energy: -78.777134
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -5.502
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: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -124.064365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.064365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.064365 (E_RNA)
where:
Base-Base interactions energy: -47.280
where: short stacking energy: -47.280
Base-Backbone interact. energy: -0.157
local terms energy: -76.627504
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -13.517
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: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -389.600268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.600268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.600268 (E_RNA)
where:
Base-Base interactions energy: -263.704
where: short stacking energy: -123.007
Base-Backbone interact. energy: -1.698
local terms energy: -124.197632
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -31.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -356.646197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.646197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.646197 (E_RNA)
where:
Base-Base interactions energy: -245.524
where: short stacking energy: -110.002
Base-Backbone interact. energy: 2.523
local terms energy: -113.645260
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -335.275702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.275702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.275702 (E_RNA)
where:
Base-Base interactions energy: -223.165
where: short stacking energy: -116.682
Base-Backbone interact. energy: 2.438
local terms energy: -114.548719
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -312.530999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.530999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.530999 (E_RNA)
where:
Base-Base interactions energy: -205.289
where: short stacking energy: -98.317
Base-Backbone interact. energy: -0.242
local terms energy: -107.000180
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -29.024
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: 117
Temperature: 1.100000
Total energy: -317.836187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.836187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.836187 (E_RNA)
where:
Base-Base interactions energy: -207.707
where: short stacking energy: -105.348
Base-Backbone interact. energy: 1.245
local terms energy: -111.374391
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -247.982440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.982440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.982440 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -83.383
Base-Backbone interact. energy: -0.138
local terms energy: -89.560665
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -228.550846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.550846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.550846 (E_RNA)
where:
Base-Base interactions energy: -139.921
where: short stacking energy: -81.043
Base-Backbone interact. energy: -0.367
local terms energy: -88.263569
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -173.469047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.469047 (E_RNA)
where:
Base-Base interactions energy: -90.206
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.151
local terms energy: -83.112436
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -11.316
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -134.652249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.652249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.652249 (E_RNA)
where:
Base-Base interactions energy: -58.038
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.304
local terms energy: -76.310680
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -6.753
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: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -124.162732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.162732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.162732 (E_RNA)
where:
Base-Base interactions energy: -50.073
where: short stacking energy: -47.204
Base-Backbone interact. energy: -1.304
local terms energy: -72.785788
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -380.979131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.979131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.979131 (E_RNA)
where:
Base-Base interactions energy: -252.159
where: short stacking energy: -123.225
Base-Backbone interact. energy: 0.931
local terms energy: -129.750760
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -35.119
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: 118
Temperature: 0.950000
Total energy: -353.038487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.038487 (E_RNA)
where:
Base-Base interactions energy: -240.464
where: short stacking energy: -101.493
Base-Backbone interact. energy: -1.118
local terms energy: -111.456672
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -347.513775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.513775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.513775 (E_RNA)
where:
Base-Base interactions energy: -229.848
where: short stacking energy: -121.001
Base-Backbone interact. energy: -0.628
local terms energy: -117.037081
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -32.247
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: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -294.693122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.693122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.693122 (E_RNA)
where:
Base-Base interactions energy: -185.753
where: short stacking energy: -84.899
Base-Backbone interact. energy: -0.197
local terms energy: -108.743607
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -261.587536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.587536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.587536 (E_RNA)
where:
Base-Base interactions energy: -158.190
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.699
local terms energy: -102.698219
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -15.628
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: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -313.133099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.133099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.133099 (E_RNA)
where:
Base-Base interactions energy: -204.296
where: short stacking energy: -109.920
Base-Backbone interact. energy: -0.079
local terms energy: -108.758045
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -28.949
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -213.035282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.035282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.035282 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.776
local terms energy: -93.258559
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -12.028
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: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -135.484802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.484802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.484802 (E_RNA)
where:
Base-Base interactions energy: -60.348
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.289
local terms energy: -74.847776
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -2.264
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: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -145.308521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.308521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.308521 (E_RNA)
where:
Base-Base interactions energy: -59.965
where: short stacking energy: -55.543
Base-Backbone interact. energy: 1.089
local terms energy: -86.432208
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -145.696921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.696921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.696921 (E_RNA)
where:
Base-Base interactions energy: -69.633
where: short stacking energy: -43.657
Base-Backbone interact. energy: -0.412
local terms energy: -75.652008
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -394.865791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.865791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.865791 (E_RNA)
where:
Base-Base interactions energy: -264.730
where: short stacking energy: -132.765
Base-Backbone interact. energy: -0.718
local terms energy: -129.417694
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -360.589379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.589379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.589379 (E_RNA)
where:
Base-Base interactions energy: -236.817
where: short stacking energy: -128.112
Base-Backbone interact. energy: -2.760
local terms energy: -121.012694
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -37.812
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: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -339.133510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.133510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.133510 (E_RNA)
where:
Base-Base interactions energy: -225.611
where: short stacking energy: -109.632
Base-Backbone interact. energy: -0.145
local terms energy: -113.377223
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -28.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -299.562737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.562737 (E_RNA)
where:
Base-Base interactions energy: -202.808
where: short stacking energy: -105.971
Base-Backbone interact. energy: -0.703
local terms energy: -96.051514
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -271.843699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.843699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.843699 (E_RNA)
where:
Base-Base interactions energy: -165.986
where: short stacking energy: -91.531
Base-Backbone interact. energy: 1.002
local terms energy: -106.859796
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -239.545793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.545793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.545793 (E_RNA)
where:
Base-Base interactions energy: -141.682
where: short stacking energy: -86.987
Base-Backbone interact. energy: -0.075
local terms energy: -97.789268
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -282.538372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.538372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.538372 (E_RNA)
where:
Base-Base interactions energy: -182.462
where: short stacking energy: -85.442
Base-Backbone interact. energy: 3.484
local terms energy: -103.560252
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -132.158602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.158602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.158602 (E_RNA)
where:
Base-Base interactions energy: -55.282
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.152
local terms energy: -76.724519
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -5.905
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: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -134.673786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.673786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.673786 (E_RNA)
where:
Base-Base interactions energy: -61.872
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.788
local terms energy: -72.013673
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -157.596432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.596432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.596432 (E_RNA)
where:
Base-Base interactions energy: -81.890
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.428
local terms energy: -75.278858
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -400.293662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.293662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.293662 (E_RNA)
where:
Base-Base interactions energy: -280.699
where: short stacking energy: -147.094
Base-Backbone interact. energy: -0.003
local terms energy: -119.592130
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -39.435
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: 120
Temperature: 0.950000
Total energy: -350.301465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.301465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.301465 (E_RNA)
where:
Base-Base interactions energy: -223.915
where: short stacking energy: -121.612
Base-Backbone interact. energy: -1.687
local terms energy: -124.700216
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -31.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -337.790393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.790393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.790393 (E_RNA)
where:
Base-Base interactions energy: -230.849
where: short stacking energy: -112.442
Base-Backbone interact. energy: -1.202
local terms energy: -105.738916
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -25.761
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: 120
Temperature: 1.050000
Total energy: -287.008919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.008919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.008919 (E_RNA)
where:
Base-Base interactions energy: -185.564
where: short stacking energy: -97.579
Base-Backbone interact. energy: -0.175
local terms energy: -101.269760
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -308.778480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.778480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.778480 (E_RNA)
where:
Base-Base interactions energy: -212.789
where: short stacking energy: -106.582
Base-Backbone interact. energy: -0.794
local terms energy: -95.196164
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -24.044
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -225.317775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.317775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.317775 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -81.911
Base-Backbone interact. energy: -0.416
local terms energy: -81.451838
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -276.106212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.106212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.106212 (E_RNA)
where:
Base-Base interactions energy: -178.506
where: short stacking energy: -88.469
Base-Backbone interact. energy: -0.230
local terms energy: -97.369555
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -145.069754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.069754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.069754 (E_RNA)
where:
Base-Base interactions energy: -58.335
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.241
local terms energy: -86.493880
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -3.325
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: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -120.735740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.735740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.735740 (E_RNA)
where:
Base-Base interactions energy: -46.202
where: short stacking energy: -45.858
Base-Backbone interact. energy: 3.535
local terms energy: -78.067892
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -1.559
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: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -120.826149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.826149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.826149 (E_RNA)
where:
Base-Base interactions energy: -55.896
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.486
local terms energy: -64.444354
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -1.614
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: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -401.464992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.464992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.464992 (E_RNA)
where:
Base-Base interactions energy: -268.243
where: short stacking energy: -143.731
Base-Backbone interact. energy: -0.433
local terms energy: -132.788907
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -37.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -359.518795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.518795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.518795 (E_RNA)
where:
Base-Base interactions energy: -237.444
where: short stacking energy: -129.099
Base-Backbone interact. energy: -1.495
local terms energy: -120.580590
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -31.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -318.191429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.191429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.191429 (E_RNA)
where:
Base-Base interactions energy: -221.040
where: short stacking energy: -106.151
Base-Backbone interact. energy: -0.373
local terms energy: -96.778508
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -310.306983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.306983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.306983 (E_RNA)
where:
Base-Base interactions energy: -213.665
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.274
local terms energy: -96.368190
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -270.410679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.410679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.410679 (E_RNA)
where:
Base-Base interactions energy: -171.709
where: short stacking energy: -97.600
Base-Backbone interact. energy: -0.578
local terms energy: -98.123596
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -17.482
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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -279.163098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.163098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.163098 (E_RNA)
where:
Base-Base interactions energy: -172.223
where: short stacking energy: -91.372
Base-Backbone interact. energy: -1.410
local terms energy: -105.530194
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -228.726254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.726254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.726254 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -83.806
Base-Backbone interact. energy: -0.108
local terms energy: -95.281888
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -142.373841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.373841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.373841 (E_RNA)
where:
Base-Base interactions energy: -67.669
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.141
local terms energy: -74.562954
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -7.853
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: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -156.604201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.604201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.604201 (E_RNA)
where:
Base-Base interactions energy: -80.987
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.155
local terms energy: -75.461718
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -124.582394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.582394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.582394 (E_RNA)
where:
Base-Base interactions energy: -42.789
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.871
local terms energy: -80.922751
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -4.328
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: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -397.012098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.012098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.012098 (E_RNA)
where:
Base-Base interactions energy: -261.733
where: short stacking energy: -139.924
Base-Backbone interact. energy: -0.045
local terms energy: -135.234743
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -39.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -342.035019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.035019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.035019 (E_RNA)
where:
Base-Base interactions energy: -224.624
where: short stacking energy: -120.859
Base-Backbone interact. energy: -0.585
local terms energy: -116.826436
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -32.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -340.691967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.691967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.691967 (E_RNA)
where:
Base-Base interactions energy: -227.717
where: short stacking energy: -111.208
Base-Backbone interact. energy: 1.885
local terms energy: -114.859775
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -23.344
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: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -309.608274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.608274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.608274 (E_RNA)
where:
Base-Base interactions energy: -211.689
where: short stacking energy: -103.149
Base-Backbone interact. energy: -0.133
local terms energy: -97.786260
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -23.386
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: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -272.692311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.692311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.692311 (E_RNA)
where:
Base-Base interactions energy: -173.586
where: short stacking energy: -84.391
Base-Backbone interact. energy: -0.364
local terms energy: -98.742241
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -16.044
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: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -270.953418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.953418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.953418 (E_RNA)
where:
Base-Base interactions energy: -163.214
where: short stacking energy: -100.180
Base-Backbone interact. energy: -0.063
local terms energy: -107.676119
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -222.378649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.378649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.378649 (E_RNA)
where:
Base-Base interactions energy: -138.134
where: short stacking energy: -83.745
Base-Backbone interact. energy: -1.226
local terms energy: -83.019305
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -144.292621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.292621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.292621 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.577
local terms energy: -85.600316
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -161.198069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.198069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.198069 (E_RNA)
where:
Base-Base interactions energy: -85.329
where: short stacking energy: -55.518
Base-Backbone interact. energy: -1.293
local terms energy: -74.576397
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -122.755537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.755537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.755537 (E_RNA)
where:
Base-Base interactions energy: -58.896
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.271
local terms energy: -63.587947
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -398.157568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.157568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.157568 (E_RNA)
where:
Base-Base interactions energy: -265.788
where: short stacking energy: -146.442
Base-Backbone interact. energy: -1.043
local terms energy: -131.326339
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -39.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -360.232020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.232020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.232020 (E_RNA)
where:
Base-Base interactions energy: -243.299
where: short stacking energy: -108.694
Base-Backbone interact. energy: -0.337
local terms energy: -116.595892
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -28.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -321.467870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.467870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.467870 (E_RNA)
where:
Base-Base interactions energy: -210.710
where: short stacking energy: -98.088
Base-Backbone interact. energy: -2.722
local terms energy: -108.035650
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -304.998872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.998872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.998872 (E_RNA)
where:
Base-Base interactions energy: -195.719
where: short stacking energy: -103.012
Base-Backbone interact. energy: -0.944
local terms energy: -108.336426
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -27.254
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -270.351625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.351625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.351625 (E_RNA)
where:
Base-Base interactions energy: -174.127
where: short stacking energy: -95.251
Base-Backbone interact. energy: -0.864
local terms energy: -95.360079
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -262.704859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.704859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.704859 (E_RNA)
where:
Base-Base interactions energy: -171.863
where: short stacking energy: -84.707
Base-Backbone interact. energy: -2.159
local terms energy: -88.682976
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -22.595
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: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -244.559028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.559028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.559028 (E_RNA)
where:
Base-Base interactions energy: -161.102
where: short stacking energy: -84.898
Base-Backbone interact. energy: -0.167
local terms energy: -83.290949
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -181.240454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.240454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.240454 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.451
local terms energy: -77.603832
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -144.535323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.535323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.535323 (E_RNA)
where:
Base-Base interactions energy: -69.813
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.509
local terms energy: -74.213611
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -6.530
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: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -136.850400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.850400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.850400 (E_RNA)
where:
Base-Base interactions energy: -60.645
where: short stacking energy: -40.783
Base-Backbone interact. energy: -0.185
local terms energy: -76.020403
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -4.194
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: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -400.455197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.455197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.455197 (E_RNA)
where:
Base-Base interactions energy: -262.157
where: short stacking energy: -134.948
Base-Backbone interact. energy: -0.260
local terms energy: -138.038224
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -39.241
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: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -357.645690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.645690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.645690 (E_RNA)
where:
Base-Base interactions energy: -253.593
where: short stacking energy: -111.935
Base-Backbone interact. energy: 0.225
local terms energy: -104.277346
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -324.628257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.628257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.628257 (E_RNA)
where:
Base-Base interactions energy: -211.231
where: short stacking energy: -102.566
Base-Backbone interact. energy: -0.059
local terms energy: -113.338197
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -27.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -313.086580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.086580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.086580 (E_RNA)
where:
Base-Base interactions energy: -206.438
where: short stacking energy: -95.244
Base-Backbone interact. energy: -0.243
local terms energy: -106.405364
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -20.358
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: 124
Temperature: 1.100000
Total energy: -259.487053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.487053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.487053 (E_RNA)
where:
Base-Base interactions energy: -161.398
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.109
local terms energy: -97.979700
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -255.481991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.481991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.481991 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -81.195
Base-Backbone interact. energy: -0.217
local terms energy: -86.420057
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -215.170411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.170411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.170411 (E_RNA)
where:
Base-Base interactions energy: -124.192
where: short stacking energy: -82.323
Base-Backbone interact. energy: -0.564
local terms energy: -90.414119
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -17.226
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: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -222.071271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.071271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.071271 (E_RNA)
where:
Base-Base interactions energy: -136.131
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.869
local terms energy: -85.070350
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -167.012912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.012912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.012912 (E_RNA)
where:
Base-Base interactions energy: -86.472
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.241
local terms energy: -80.299327
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -127.794498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.794498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.794498 (E_RNA)
where:
Base-Base interactions energy: -52.722
where: short stacking energy: -52.722
Base-Backbone interact. energy: 0.078
local terms energy: -75.151105
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -397.115022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.115022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.115022 (E_RNA)
where:
Base-Base interactions energy: -274.925
where: short stacking energy: -145.565
Base-Backbone interact. energy: -0.026
local terms energy: -122.164067
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -38.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -342.337520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.337520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.337520 (E_RNA)
where:
Base-Base interactions energy: -219.028
where: short stacking energy: -112.625
Base-Backbone interact. energy: 0.175
local terms energy: -123.483870
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -28.424
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: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -329.579896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.579896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.579896 (E_RNA)
where:
Base-Base interactions energy: -223.424
where: short stacking energy: -106.112
Base-Backbone interact. energy: 0.247
local terms energy: -106.403671
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -270.916015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.916015 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -103.718
Base-Backbone interact. energy: -0.202
local terms energy: -106.043070
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -305.556145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.556145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.556145 (E_RNA)
where:
Base-Base interactions energy: -201.729
where: short stacking energy: -96.520
Base-Backbone interact. energy: 0.158
local terms energy: -103.985437
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -273.863323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.863323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.863323 (E_RNA)
where:
Base-Base interactions energy: -183.703
where: short stacking energy: -95.028
Base-Backbone interact. energy: 0.688
local terms energy: -90.847693
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -18.595
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: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -196.908897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.908897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.908897 (E_RNA)
where:
Base-Base interactions energy: -116.919
where: short stacking energy: -66.822
Base-Backbone interact. energy: 0.004
local terms energy: -79.994583
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -214.233448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.233448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.233448 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -73.883
Base-Backbone interact. energy: 5.444
local terms energy: -85.903386
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -155.873417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.873417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.873417 (E_RNA)
where:
Base-Base interactions energy: -71.984
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.060
local terms energy: -83.829137
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -126.086043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.086043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.086043 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -51.833
Base-Backbone interact. energy: -1.485
local terms energy: -70.933739
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -406.428298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.428298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.428298 (E_RNA)
where:
Base-Base interactions energy: -271.913
where: short stacking energy: -145.015
Base-Backbone interact. energy: -0.002
local terms energy: -134.512883
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -36.506
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: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -340.544286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.544286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.544286 (E_RNA)
where:
Base-Base interactions energy: -216.551
where: short stacking energy: -113.408
Base-Backbone interact. energy: -0.170
local terms energy: -123.823656
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -33.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -340.726951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.726951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.726951 (E_RNA)
where:
Base-Base interactions energy: -228.535
where: short stacking energy: -105.377
Base-Backbone interact. energy: 1.687
local terms energy: -113.878615
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -270.335261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.335261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.335261 (E_RNA)
where:
Base-Base interactions energy: -162.276
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.055
local terms energy: -108.005123
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -17.494
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -299.254657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.254657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.254657 (E_RNA)
where:
Base-Base interactions energy: -196.520
where: short stacking energy: -89.302
Base-Backbone interact. energy: -0.796
local terms energy: -101.939001
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -254.117502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.117502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.117502 (E_RNA)
where:
Base-Base interactions energy: -167.331
where: short stacking energy: -90.115
Base-Backbone interact. energy: -0.063
local terms energy: -86.723447
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -270.632695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.632695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.632695 (E_RNA)
where:
Base-Base interactions energy: -158.493
where: short stacking energy: -86.458
Base-Backbone interact. energy: -1.227
local terms energy: -110.912393
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -223.857237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.857237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.857237 (E_RNA)
where:
Base-Base interactions energy: -126.856
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.120
local terms energy: -96.881751
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -16.887
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: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -137.727978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.727978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.727978 (E_RNA)
where:
Base-Base interactions energy: -64.394
where: short stacking energy: -56.481
Base-Backbone interact. energy: -0.628
local terms energy: -72.705407
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -12.673
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -116.549354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.549354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.549354 (E_RNA)
where:
Base-Base interactions energy: -48.584
where: short stacking energy: -31.878
Base-Backbone interact. energy: 1.028
local terms energy: -68.993624
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: 3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -394.244588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.244588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.244588 (E_RNA)
where:
Base-Base interactions energy: -260.573
where: short stacking energy: -140.002
Base-Backbone interact. energy: -1.340
local terms energy: -132.330942
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -38.453
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: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -352.401582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.401582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.401582 (E_RNA)
where:
Base-Base interactions energy: -235.529
where: short stacking energy: -114.685
Base-Backbone interact. energy: 0.046
local terms energy: -116.918516
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -334.391753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.391753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.391753 (E_RNA)
where:
Base-Base interactions energy: -227.023
where: short stacking energy: -110.493
Base-Backbone interact. energy: -1.735
local terms energy: -105.633354
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -302.186350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.186350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.186350 (E_RNA)
where:
Base-Base interactions energy: -195.014
where: short stacking energy: -95.994
Base-Backbone interact. energy: 0.245
local terms energy: -107.417634
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -23.151
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -248.275325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.275325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.275325 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -83.706
Base-Backbone interact. energy: -0.108
local terms energy: -101.709747
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -22.798
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -255.471643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.471643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.471643 (E_RNA)
where:
Base-Base interactions energy: -168.599
where: short stacking energy: -85.497
Base-Backbone interact. energy: -0.223
local terms energy: -86.649671
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -256.873928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.873928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873928 (E_RNA)
where:
Base-Base interactions energy: -158.378
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.343
local terms energy: -98.152795
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -14.521
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: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -195.644012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.644012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644012 (E_RNA)
where:
Base-Base interactions energy: -128.240
where: short stacking energy: -76.929
Base-Backbone interact. energy: 5.068
local terms energy: -72.471797
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -143.168849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.168849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.168849 (E_RNA)
where:
Base-Base interactions energy: -57.941
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.154
local terms energy: -85.074150
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -140.412054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.412054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.412054 (E_RNA)
where:
Base-Base interactions energy: -57.307
where: short stacking energy: -56.414
Base-Backbone interact. energy: -0.069
local terms energy: -83.036269
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -399.487904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.487904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.487904 (E_RNA)
where:
Base-Base interactions energy: -265.851
where: short stacking energy: -136.674
Base-Backbone interact. energy: -0.103
local terms energy: -133.534094
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -18.119
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: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -346.436164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.436164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.436164 (E_RNA)
where:
Base-Base interactions energy: -238.186
where: short stacking energy: -111.742
Base-Backbone interact. energy: 1.767
local terms energy: -110.017174
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -339.781196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.781196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.781196 (E_RNA)
where:
Base-Base interactions energy: -221.851
where: short stacking energy: -109.873
Base-Backbone interact. energy: -0.936
local terms energy: -116.994315
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -34.004
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: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -339.507300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.507300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.507300 (E_RNA)
where:
Base-Base interactions energy: -216.767
where: short stacking energy: -109.670
Base-Backbone interact. energy: -0.293
local terms energy: -122.448122
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -29.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -255.100003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.100003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.100003 (E_RNA)
where:
Base-Base interactions energy: -156.524
where: short stacking energy: -79.685
Base-Backbone interact. energy: -0.237
local terms energy: -98.339012
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -14.205
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: 128
Temperature: 1.150000
Total energy: -238.153370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.153370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.153370 (E_RNA)
where:
Base-Base interactions energy: -153.717
where: short stacking energy: -91.192
Base-Backbone interact. energy: -1.180
local terms energy: -83.256964
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -222.084323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.084323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.084323 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -70.533
Base-Backbone interact. energy: 1.548
local terms energy: -92.317835
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -196.431290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.431290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.431290 (E_RNA)
where:
Base-Base interactions energy: -107.255
where: short stacking energy: -64.312
Base-Backbone interact. energy: 1.083
local terms energy: -90.258701
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -6.134
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: 128
Temperature: 1.300000
Total energy: -127.056990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.056990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.056990 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -37.876
Base-Backbone interact. energy: 1.069
local terms energy: -83.519520
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -6.695
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: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -123.793572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.793572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.793572 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -48.311
Base-Backbone interact. energy: -0.609
local terms energy: -75.106420
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -399.875478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.875478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.875478 (E_RNA)
where:
Base-Base interactions energy: -267.410
where: short stacking energy: -140.008
Base-Backbone interact. energy: -0.435
local terms energy: -132.030540
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -38.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -353.349483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.349483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.349483 (E_RNA)
where:
Base-Base interactions energy: -239.472
where: short stacking energy: -115.152
Base-Backbone interact. energy: -0.519
local terms energy: -113.358269
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -326.067123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.067123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.067123 (E_RNA)
where:
Base-Base interactions energy: -218.327
where: short stacking energy: -114.249
Base-Backbone interact. energy: -1.095
local terms energy: -106.645698
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -329.926175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.926175 (E_RNA)
where:
Base-Base interactions energy: -218.090
where: short stacking energy: -115.158
Base-Backbone interact. energy: -0.019
local terms energy: -111.817302
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -29.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -273.499589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.499589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.499589 (E_RNA)
where:
Base-Base interactions energy: -172.563
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.175
local terms energy: -100.761246
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -274.534980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.534980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.534980 (E_RNA)
where:
Base-Base interactions energy: -176.668
where: short stacking energy: -99.037
Base-Backbone interact. energy: 0.234
local terms energy: -98.100922
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -242.123853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.123853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.123853 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -84.835
Base-Backbone interact. energy: -0.032
local terms energy: -90.005832
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -141.027905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.027905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.027905 (E_RNA)
where:
Base-Base interactions energy: -68.665
where: short stacking energy: -57.159
Base-Backbone interact. energy: -0.168
local terms energy: -72.194670
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -193.751961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.751961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.751961 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.717
local terms energy: -81.580484
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -10.430
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: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -119.022514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.022514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.022514 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.409
local terms energy: -78.400499
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -395.665681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.665681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.665681 (E_RNA)
where:
Base-Base interactions energy: -259.174
where: short stacking energy: -141.349
Base-Backbone interact. energy: -0.009
local terms energy: -136.482721
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -38.945
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: 130
Temperature: 0.950000
Total energy: -341.966175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.966175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.966175 (E_RNA)
where:
Base-Base interactions energy: -232.369
where: short stacking energy: -111.446
Base-Backbone interact. energy: -0.759
local terms energy: -108.837771
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -333.463803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.463803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.463803 (E_RNA)
where:
Base-Base interactions energy: -223.159
where: short stacking energy: -120.272
Base-Backbone interact. energy: -1.179
local terms energy: -109.125580
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -315.129866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.129866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.129866 (E_RNA)
where:
Base-Base interactions energy: -208.431
where: short stacking energy: -103.723
Base-Backbone interact. energy: -0.577
local terms energy: -106.122618
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -266.096385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.096385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.096385 (E_RNA)
where:
Base-Base interactions energy: -178.692
where: short stacking energy: -82.318
Base-Backbone interact. energy: -0.105
local terms energy: -87.298884
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -249.789715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.789715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.789715 (E_RNA)
where:
Base-Base interactions energy: -154.932
where: short stacking energy: -96.723
Base-Backbone interact. energy: 0.517
local terms energy: -95.374541
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -211.326820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.326820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.326820 (E_RNA)
where:
Base-Base interactions energy: -124.393
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.604
local terms energy: -86.330465
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -4.028
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: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -144.419337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.419337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.419337 (E_RNA)
where:
Base-Base interactions energy: -74.782
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.497
local terms energy: -69.140506
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -0.462
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: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -200.323916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.323916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.323916 (E_RNA)
where:
Base-Base interactions energy: -124.369
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.319
local terms energy: -75.635775
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -130.775381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.775381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.775381 (E_RNA)
where:
Base-Base interactions energy: -65.777
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.135
local terms energy: -64.863036
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -405.196809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.196809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.196809 (E_RNA)
where:
Base-Base interactions energy: -271.279
where: short stacking energy: -140.780
Base-Backbone interact. energy: -0.216
local terms energy: -133.701179
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -38.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -335.166254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.166254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.166254 (E_RNA)
where:
Base-Base interactions energy: -227.419
where: short stacking energy: -117.508
Base-Backbone interact. energy: 1.722
local terms energy: -109.468777
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -27.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -341.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.747182 (E_RNA)
where:
Base-Base interactions energy: -238.415
where: short stacking energy: -111.498
Base-Backbone interact. energy: -0.929
local terms energy: -102.403547
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -23.372
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -323.156799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.156799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.156799 (E_RNA)
where:
Base-Base interactions energy: -213.635
where: short stacking energy: -102.949
Base-Backbone interact. energy: -0.251
local terms energy: -109.271077
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -285.484124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.484124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.484124 (E_RNA)
where:
Base-Base interactions energy: -190.483
where: short stacking energy: -96.714
Base-Backbone interact. energy: -0.148
local terms energy: -94.853741
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -223.279578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279578 (E_RNA)
where:
Base-Base interactions energy: -129.401
where: short stacking energy: -75.045
Base-Backbone interact. energy: 0.012
local terms energy: -93.890495
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -17.447
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: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -237.985845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.985845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.985845 (E_RNA)
where:
Base-Base interactions energy: -156.506
where: short stacking energy: -91.562
Base-Backbone interact. energy: -0.143
local terms energy: -81.336804
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -20.747
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -211.414407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414407 (E_RNA)
where:
Base-Base interactions energy: -126.451
where: short stacking energy: -65.871
Base-Backbone interact. energy: 0.057
local terms energy: -85.020882
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -144.043509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.043509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.043509 (E_RNA)
where:
Base-Base interactions energy: -69.741
where: short stacking energy: -55.397
Base-Backbone interact. energy: -0.092
local terms energy: -74.210656
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -123.995722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.995722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.995722 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -43.344
Base-Backbone interact. energy: -0.211
local terms energy: -80.304380
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -18.283
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: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -392.894930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.894930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.894930 (E_RNA)
where:
Base-Base interactions energy: -264.375
where: short stacking energy: -142.227
Base-Backbone interact. energy: -0.007
local terms energy: -128.512941
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -39.553
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -349.580662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.580662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.580662 (E_RNA)
where:
Base-Base interactions energy: -222.196
where: short stacking energy: -114.401
Base-Backbone interact. energy: 0.045
local terms energy: -127.430077
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -30.706
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: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -350.852326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.852326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.852326 (E_RNA)
where:
Base-Base interactions energy: -228.134
where: short stacking energy: -108.503
Base-Backbone interact. energy: -0.437
local terms energy: -122.280751
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -30.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -327.056240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.056240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.056240 (E_RNA)
where:
Base-Base interactions energy: -219.986
where: short stacking energy: -108.273
Base-Backbone interact. energy: 1.425
local terms energy: -108.495676
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -301.607362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.607362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.607362 (E_RNA)
where:
Base-Base interactions energy: -200.432
where: short stacking energy: -93.584
Base-Backbone interact. energy: -0.012
local terms energy: -101.163618
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -24.997
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -240.077854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.077854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.077854 (E_RNA)
where:
Base-Base interactions energy: -145.288
where: short stacking energy: -76.507
Base-Backbone interact. energy: -0.163
local terms energy: -94.626596
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -13.755
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: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -225.695581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.695581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.695581 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -81.497
Base-Backbone interact. energy: -0.221
local terms energy: -81.615100
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -14.252
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: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -179.591138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.591138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.591138 (E_RNA)
where:
Base-Base interactions energy: -87.625
where: short stacking energy: -78.648
Base-Backbone interact. energy: 0.588
local terms energy: -92.554046
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -127.087445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.087445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.087445 (E_RNA)
where:
Base-Base interactions energy: -53.793
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.378
local terms energy: -72.916149
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -2.293
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: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -148.893760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.893760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.893760 (E_RNA)
where:
Base-Base interactions energy: -56.293
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.053
local terms energy: -92.547377
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -407.082144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.082144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.082144 (E_RNA)
where:
Base-Base interactions energy: -274.356
where: short stacking energy: -139.391
Base-Backbone interact. energy: -1.231
local terms energy: -131.495227
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -38.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -362.792367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.792367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.792367 (E_RNA)
where:
Base-Base interactions energy: -251.438
where: short stacking energy: -119.119
Base-Backbone interact. energy: -0.371
local terms energy: -110.983242
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -25.492
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: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -326.188998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.188998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.188998 (E_RNA)
where:
Base-Base interactions energy: -209.084
where: short stacking energy: -113.743
Base-Backbone interact. energy: 0.948
local terms energy: -118.052510
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -335.898344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.898344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.898344 (E_RNA)
where:
Base-Base interactions energy: -219.541
where: short stacking energy: -103.657
Base-Backbone interact. energy: -0.354
local terms energy: -116.003665
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -29.857
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -264.177173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.177173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.177173 (E_RNA)
where:
Base-Base interactions energy: -162.622
where: short stacking energy: -86.280
Base-Backbone interact. energy: -0.640
local terms energy: -100.915343
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -238.441968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.441968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.441968 (E_RNA)
where:
Base-Base interactions energy: -146.070
where: short stacking energy: -82.716
Base-Backbone interact. energy: 3.370
local terms energy: -95.742335
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -15.601
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: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -230.220631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.220631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.220631 (E_RNA)
where:
Base-Base interactions energy: -142.065
where: short stacking energy: -87.102
Base-Backbone interact. energy: -0.357
local terms energy: -87.798498
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -17.349
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: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -148.712077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.712077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.712077 (E_RNA)
where:
Base-Base interactions energy: -61.741
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.055
local terms energy: -86.915893
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -126.274576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.274576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.274576 (E_RNA)
where:
Base-Base interactions energy: -44.582
where: short stacking energy: -43.043
Base-Backbone interact. energy: -0.441
local terms energy: -81.252203
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -14.120
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: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -131.836300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.836300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.836300 (E_RNA)
where:
Base-Base interactions energy: -55.404
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.045
local terms energy: -76.387574
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -397.295080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.295080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.295080 (E_RNA)
where:
Base-Base interactions energy: -264.655
where: short stacking energy: -144.289
Base-Backbone interact. energy: -0.011
local terms energy: -132.628624
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -40.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -343.598809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.598809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.598809 (E_RNA)
where:
Base-Base interactions energy: -229.457
where: short stacking energy: -112.854
Base-Backbone interact. energy: -0.714
local terms energy: -113.427308
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -319.016170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.016170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.016170 (E_RNA)
where:
Base-Base interactions energy: -212.029
where: short stacking energy: -99.756
Base-Backbone interact. energy: -0.193
local terms energy: -106.793933
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -331.804182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.804182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.804182 (E_RNA)
where:
Base-Base interactions energy: -217.096
where: short stacking energy: -117.325
Base-Backbone interact. energy: -1.925
local terms energy: -112.782577
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -31.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -237.662226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.662226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.662226 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -86.252
Base-Backbone interact. energy: -0.488
local terms energy: -95.861408
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -276.530486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.530486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.530486 (E_RNA)
where:
Base-Base interactions energy: -183.555
where: short stacking energy: -93.077
Base-Backbone interact. energy: -0.026
local terms energy: -92.949051
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -20.027
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -237.958874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.958874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958874 (E_RNA)
where:
Base-Base interactions energy: -138.564
where: short stacking energy: -84.220
Base-Backbone interact. energy: -0.945
local terms energy: -98.450146
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -174.196955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.196955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.196955 (E_RNA)
where:
Base-Base interactions energy: -83.540
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.168
local terms energy: -90.489014
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -15.709
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: 134
Temperature: 1.300000
Total energy: -127.326664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.326664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.326664 (E_RNA)
where:
Base-Base interactions energy: -55.020
where: short stacking energy: -50.302
Base-Backbone interact. energy: -1.221
local terms energy: -71.085816
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -112.047092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.047092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.047092 (E_RNA)
where:
Base-Base interactions energy: -39.646
where: short stacking energy: -32.764
Base-Backbone interact. energy: 0.554
local terms energy: -72.955187
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: 6.005
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: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -396.567508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.567508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.567508 (E_RNA)
where:
Base-Base interactions energy: -276.081
where: short stacking energy: -139.575
Base-Backbone interact. energy: -0.624
local terms energy: -119.862718
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -37.161
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: 135
Temperature: 0.950000
Total energy: -337.051426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.051426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.051426 (E_RNA)
where:
Base-Base interactions energy: -222.052
where: short stacking energy: -111.608
Base-Backbone interact. energy: -1.986
local terms energy: -113.013460
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -324.356001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.356001 (E_RNA)
where:
Base-Base interactions energy: -211.494
where: short stacking energy: -102.690
Base-Backbone interact. energy: -0.001
local terms energy: -112.860497
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -309.857829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.857829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.857829 (E_RNA)
where:
Base-Base interactions energy: -206.543
where: short stacking energy: -116.279
Base-Backbone interact. energy: 1.482
local terms energy: -104.797385
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -254.793722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.793722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.793722 (E_RNA)
where:
Base-Base interactions energy: -156.652
where: short stacking energy: -90.202
Base-Backbone interact. energy: -0.423
local terms energy: -97.718605
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -275.176531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.176531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.176531 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -91.204
Base-Backbone interact. energy: -2.991
local terms energy: -91.573278
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -239.034856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.034856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.034856 (E_RNA)
where:
Base-Base interactions energy: -146.827
where: short stacking energy: -87.307
Base-Backbone interact. energy: -0.159
local terms energy: -92.049487
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -135.639732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.639732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.639732 (E_RNA)
where:
Base-Base interactions energy: -63.096
where: short stacking energy: -63.096
Base-Backbone interact. energy: 1.263
local terms energy: -73.806506
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -3.771
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -137.254064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.254064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.254064 (E_RNA)
where:
Base-Base interactions energy: -71.202
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.665
local terms energy: -65.387332
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -122.836031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.836031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.836031 (E_RNA)
where:
Base-Base interactions energy: -53.606
where: short stacking energy: -43.561
Base-Backbone interact. energy: 0.554
local terms energy: -69.784699
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -405.422543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.422543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.422543 (E_RNA)
where:
Base-Base interactions energy: -269.347
where: short stacking energy: -143.949
Base-Backbone interact. energy: -0.590
local terms energy: -135.486032
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -343.709728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.709728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.709728 (E_RNA)
where:
Base-Base interactions energy: -234.510
where: short stacking energy: -116.857
Base-Backbone interact. energy: -0.126
local terms energy: -109.073868
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -347.984006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.984006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.984006 (E_RNA)
where:
Base-Base interactions energy: -227.401
where: short stacking energy: -120.299
Base-Backbone interact. energy: -0.370
local terms energy: -120.212733
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -29.453
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: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -330.663852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.663852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.663852 (E_RNA)
where:
Base-Base interactions energy: -221.829
where: short stacking energy: -107.131
Base-Backbone interact. energy: -1.382
local terms energy: -107.452274
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -267.260858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.260858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.260858 (E_RNA)
where:
Base-Base interactions energy: -162.058
where: short stacking energy: -85.514
Base-Backbone interact. energy: -1.329
local terms energy: -103.874286
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -248.581859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.581859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.581859 (E_RNA)
where:
Base-Base interactions energy: -146.059
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.564
local terms energy: -101.958701
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -24.494
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: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -239.725270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.725270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.725270 (E_RNA)
where:
Base-Base interactions energy: -150.233
where: short stacking energy: -79.420
Base-Backbone interact. energy: -0.241
local terms energy: -89.251093
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -145.631762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.631762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.631762 (E_RNA)
where:
Base-Base interactions energy: -63.341
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.165
local terms energy: -82.125376
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -0.954
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -136.998080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.998080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.998080 (E_RNA)
where:
Base-Base interactions energy: -58.845
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.120
local terms energy: -78.033609
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -8.463
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: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -129.217565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.217565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.217565 (E_RNA)
where:
Base-Base interactions energy: -50.763
where: short stacking energy: -49.569
Base-Backbone interact. energy: 0.924
local terms energy: -79.378983
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -398.439036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.439036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.439036 (E_RNA)
where:
Base-Base interactions energy: -270.749
where: short stacking energy: -140.159
Base-Backbone interact. energy: -0.021
local terms energy: -127.668206
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -38.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -345.399621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.399621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.399621 (E_RNA)
where:
Base-Base interactions energy: -234.886
where: short stacking energy: -118.121
Base-Backbone interact. energy: -0.545
local terms energy: -109.968073
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -322.887133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.887133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.887133 (E_RNA)
where:
Base-Base interactions energy: -225.760
where: short stacking energy: -113.713
Base-Backbone interact. energy: -0.070
local terms energy: -97.057036
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -326.081744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.081744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.081744 (E_RNA)
where:
Base-Base interactions energy: -214.131
where: short stacking energy: -111.943
Base-Backbone interact. energy: -0.897
local terms energy: -111.053992
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -25.406
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -276.013838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.013838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.013838 (E_RNA)
where:
Base-Base interactions energy: -175.871
where: short stacking energy: -87.484
Base-Backbone interact. energy: -0.729
local terms energy: -99.413305
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -14.879
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: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -248.123947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.123947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.123947 (E_RNA)
where:
Base-Base interactions energy: -146.472
where: short stacking energy: -86.250
Base-Backbone interact. energy: -1.141
local terms energy: -100.511085
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.936
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: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -240.234215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.234215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.234215 (E_RNA)
where:
Base-Base interactions energy: -150.113
where: short stacking energy: -81.151
Base-Backbone interact. energy: 1.919
local terms energy: -92.040212
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -176.525528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.525528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.525528 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -69.065
Base-Backbone interact. energy: -0.395
local terms energy: -83.770413
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -194.996529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.996529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.996529 (E_RNA)
where:
Base-Base interactions energy: -95.682
where: short stacking energy: -66.304
Base-Backbone interact. energy: 0.511
local terms energy: -99.825852
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -12.929
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: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -123.412327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.412327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.412327 (E_RNA)
where:
Base-Base interactions energy: -49.722
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.240
local terms energy: -73.450459
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -400.626105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.626105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.626105 (E_RNA)
where:
Base-Base interactions energy: -265.780
where: short stacking energy: -142.705
Base-Backbone interact. energy: -0.017
local terms energy: -134.828806
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -37.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -342.163433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.163433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.163433 (E_RNA)
where:
Base-Base interactions energy: -239.645
where: short stacking energy: -121.618
Base-Backbone interact. energy: 0.290
local terms energy: -102.808687
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -331.846327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.846327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.846327 (E_RNA)
where:
Base-Base interactions energy: -216.225
where: short stacking energy: -110.315
Base-Backbone interact. energy: -1.140
local terms energy: -114.481362
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -25.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -297.629238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.629238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.629238 (E_RNA)
where:
Base-Base interactions energy: -192.426
where: short stacking energy: -86.131
Base-Backbone interact. energy: -0.372
local terms energy: -104.831254
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -16.427
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: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -259.251496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.251496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.251496 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -85.070
Base-Backbone interact. energy: -0.196
local terms energy: -104.786827
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -16.521
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -287.330297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.330297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.330297 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -84.215
Base-Backbone interact. energy: 0.050
local terms energy: -107.274455
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -222.387145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.387145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.387145 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -79.261
Base-Backbone interact. energy: -0.051
local terms energy: -92.188747
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -136.974635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.974635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.974635 (E_RNA)
where:
Base-Base interactions energy: -73.622
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.822
local terms energy: -62.530039
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -3.993
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: 138
Temperature: 1.300000
Total energy: -124.053565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.053565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.053565 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -42.229
Base-Backbone interact. energy: -1.573
local terms energy: -71.365042
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: 3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -124.404028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.404028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.404028 (E_RNA)
where:
Base-Base interactions energy: -47.004
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.176
local terms energy: -77.224545
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -399.932929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.932929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.932929 (E_RNA)
where:
Base-Base interactions energy: -265.952
where: short stacking energy: -142.064
Base-Backbone interact. energy: -0.050
local terms energy: -133.931165
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -39.164
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -356.104737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.104737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.104737 (E_RNA)
where:
Base-Base interactions energy: -239.223
where: short stacking energy: -123.303
Base-Backbone interact. energy: -0.244
local terms energy: -116.637899
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -27.853
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: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -335.989007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.989007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.989007 (E_RNA)
where:
Base-Base interactions energy: -210.603
where: short stacking energy: -114.144
Base-Backbone interact. energy: -0.301
local terms energy: -125.085727
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -324.488168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.488168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.488168 (E_RNA)
where:
Base-Base interactions energy: -220.971
where: short stacking energy: -111.040
Base-Backbone interact. energy: 3.994
local terms energy: -107.511552
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -242.957065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.957065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.957065 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -83.490
Base-Backbone interact. energy: -0.401
local terms energy: -97.942414
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -236.147070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.147070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.147070 (E_RNA)
where:
Base-Base interactions energy: -140.532
where: short stacking energy: -77.402
Base-Backbone interact. energy: -0.154
local terms energy: -95.460667
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -16.243
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: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -246.805704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.805704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.805704 (E_RNA)
where:
Base-Base interactions energy: -167.449
where: short stacking energy: -69.837
Base-Backbone interact. energy: 2.893
local terms energy: -82.250006
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -131.338442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.338442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.338442 (E_RNA)
where:
Base-Base interactions energy: -60.098
where: short stacking energy: -53.329
Base-Backbone interact. energy: 0.582
local terms energy: -71.822057
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -146.498083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.498083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.498083 (E_RNA)
where:
Base-Base interactions energy: -74.276
where: short stacking energy: -67.213
Base-Backbone interact. energy: 1.591
local terms energy: -73.813437
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -4.075
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: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -127.803421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.803421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.803421 (E_RNA)
where:
Base-Base interactions energy: -65.662
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.266
local terms energy: -61.875570
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -393.860084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.860084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.860084 (E_RNA)
where:
Base-Base interactions energy: -266.926
where: short stacking energy: -147.655
Base-Backbone interact. energy: -0.450
local terms energy: -126.483714
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -342.392502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.392502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.392502 (E_RNA)
where:
Base-Base interactions energy: -232.905
where: short stacking energy: -115.371
Base-Backbone interact. energy: -0.606
local terms energy: -108.881335
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -25.191
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: 140
Temperature: 1.000000
Total energy: -334.267617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.267617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.267617 (E_RNA)
where:
Base-Base interactions energy: -224.807
where: short stacking energy: -98.996
Base-Backbone interact. energy: -0.665
local terms energy: -108.795313
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -23.442
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: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -330.138600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.138600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.138600 (E_RNA)
where:
Base-Base interactions energy: -226.783
where: short stacking energy: -113.336
Base-Backbone interact. energy: 0.179
local terms energy: -103.533839
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -246.759894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.759894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.759894 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -87.140
Base-Backbone interact. energy: -0.393
local terms energy: -87.553150
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -230.662902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.662902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.662902 (E_RNA)
where:
Base-Base interactions energy: -141.284
where: short stacking energy: -87.079
Base-Backbone interact. energy: -0.606
local terms energy: -88.772607
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -17.506
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: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -270.820764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.820764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.820764 (E_RNA)
where:
Base-Base interactions energy: -164.584
where: short stacking energy: -91.040
Base-Backbone interact. energy: -0.393
local terms energy: -105.843433
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -145.353518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.353518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.353518 (E_RNA)
where:
Base-Base interactions energy: -62.977
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.167
local terms energy: -82.209020
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -14.883
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: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -129.735673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.735673 (E_RNA)
where:
Base-Base interactions energy: -55.367
where: short stacking energy: -54.000
Base-Backbone interact. energy: 0.164
local terms energy: -74.532915
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -3.127
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: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -126.805011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.805011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.805011 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -29.341
Base-Backbone interact. energy: 0.622
local terms energy: -80.533545
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -14.367
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: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -394.445467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.445467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.445467 (E_RNA)
where:
Base-Base interactions energy: -259.055
where: short stacking energy: -140.158
Base-Backbone interact. energy: -0.007
local terms energy: -135.383818
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -39.660
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -355.893810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.893810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.893810 (E_RNA)
where:
Base-Base interactions energy: -237.888
where: short stacking energy: -121.619
Base-Backbone interact. energy: -0.906
local terms energy: -117.099372
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -28.719
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: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -340.174925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.174925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.174925 (E_RNA)
where:
Base-Base interactions energy: -227.786
where: short stacking energy: -106.227
Base-Backbone interact. energy: -0.465
local terms energy: -111.923117
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -313.752783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.752783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.752783 (E_RNA)
where:
Base-Base interactions energy: -198.556
where: short stacking energy: -105.307
Base-Backbone interact. energy: -2.042
local terms energy: -113.155351
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -254.246617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.246617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.246617 (E_RNA)
where:
Base-Base interactions energy: -145.495
where: short stacking energy: -83.198
Base-Backbone interact. energy: -0.798
local terms energy: -107.953831
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -261.317495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.317495 (E_RNA)
where:
Base-Base interactions energy: -170.706
where: short stacking energy: -80.056
Base-Backbone interact. energy: 0.400
local terms energy: -91.011497
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -254.814247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.814247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.814247 (E_RNA)
where:
Base-Base interactions energy: -157.768
where: short stacking energy: -98.336
Base-Backbone interact. energy: -0.277
local terms energy: -96.768776
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -23.027
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: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -177.292817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.292817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.292817 (E_RNA)
where:
Base-Base interactions energy: -110.604
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.151
local terms energy: -66.537431
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -128.970664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.970664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.970664 (E_RNA)
where:
Base-Base interactions energy: -58.649
where: short stacking energy: -55.235
Base-Backbone interact. energy: 1.862
local terms energy: -72.182965
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -121.638584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.638584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.638584 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.241
local terms energy: -76.791600
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -397.354725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.354725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.354725 (E_RNA)
where:
Base-Base interactions energy: -265.243
where: short stacking energy: -141.197
Base-Backbone interact. energy: -0.008
local terms energy: -132.103470
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -38.545
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -341.995369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.995369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.995369 (E_RNA)
where:
Base-Base interactions energy: -231.880
where: short stacking energy: -112.448
Base-Backbone interact. energy: -0.853
local terms energy: -109.262826
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -26.559
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: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -349.263949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.263949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.263949 (E_RNA)
where:
Base-Base interactions energy: -238.853
where: short stacking energy: -106.988
Base-Backbone interact. energy: -1.183
local terms energy: -109.228627
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -24.515
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: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -310.063527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.063527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.063527 (E_RNA)
where:
Base-Base interactions energy: -204.794
where: short stacking energy: -98.914
Base-Backbone interact. energy: -0.084
local terms energy: -105.185055
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -283.753150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.753150 (E_RNA)
where:
Base-Base interactions energy: -180.630
where: short stacking energy: -93.086
Base-Backbone interact. energy: 0.705
local terms energy: -103.828615
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -244.704470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.704470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.704470 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -88.299
Base-Backbone interact. energy: -0.360
local terms energy: -99.723488
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -17.516
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: 142
Temperature: 1.200000
Total energy: -233.083821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083821 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -91.946
Base-Backbone interact. energy: -0.031
local terms energy: -83.158694
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -172.311510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.311510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.311510 (E_RNA)
where:
Base-Base interactions energy: -102.928
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.253
local terms energy: -69.130703
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -4.876
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: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -124.515169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.515169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.515169 (E_RNA)
where:
Base-Base interactions energy: -45.151
where: short stacking energy: -41.561
Base-Backbone interact. energy: -0.562
local terms energy: -78.802209
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -120.052756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.052756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.052756 (E_RNA)
where:
Base-Base interactions energy: -41.680
where: short stacking energy: -32.697
Base-Backbone interact. energy: 0.224
local terms energy: -78.596826
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -2.846
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: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -393.224246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.224246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.224246 (E_RNA)
where:
Base-Base interactions energy: -265.838
where: short stacking energy: -141.040
Base-Backbone interact. energy: 0.100
local terms energy: -127.486696
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -38.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -348.764348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.764348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.764348 (E_RNA)
where:
Base-Base interactions energy: -244.194
where: short stacking energy: -111.672
Base-Backbone interact. energy: -0.290
local terms energy: -104.280998
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -23.312
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: 143
Temperature: 1.000000
Total energy: -339.044926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.044926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.044926 (E_RNA)
where:
Base-Base interactions energy: -222.124
where: short stacking energy: -115.051
Base-Backbone interact. energy: -0.122
local terms energy: -116.798636
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -29.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -307.803784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.803784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.803784 (E_RNA)
where:
Base-Base interactions energy: -206.861
where: short stacking energy: -100.806
Base-Backbone interact. energy: -0.395
local terms energy: -100.547701
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -271.099610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.099610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.099610 (E_RNA)
where:
Base-Base interactions energy: -184.917
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.672
local terms energy: -85.510323
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -22.004
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: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -238.728263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.728263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.728263 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.570
local terms energy: -105.017953
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -222.015058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015058 (E_RNA)
where:
Base-Base interactions energy: -132.454
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.341
local terms energy: -89.220283
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -6.292
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: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -143.452113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.452113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.452113 (E_RNA)
where:
Base-Base interactions energy: -54.999
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.380
local terms energy: -88.072753
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -170.156922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.156922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.156922 (E_RNA)
where:
Base-Base interactions energy: -103.606
where: short stacking energy: -51.681
Base-Backbone interact. energy: 0.824
local terms energy: -67.374697
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -6.058
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: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -136.575331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.575331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.575331 (E_RNA)
where:
Base-Base interactions energy: -68.677
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.156
local terms energy: -67.742776
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -388.749398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.749398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.749398 (E_RNA)
where:
Base-Base interactions energy: -259.594
where: short stacking energy: -141.015
Base-Backbone interact. energy: -0.435
local terms energy: -128.720446
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -38.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -338.378796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.378796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.378796 (E_RNA)
where:
Base-Base interactions energy: -224.322
where: short stacking energy: -114.872
Base-Backbone interact. energy: -0.586
local terms energy: -113.470953
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -27.148
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: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -318.059710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.059710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.059710 (E_RNA)
where:
Base-Base interactions energy: -200.574
where: short stacking energy: -103.594
Base-Backbone interact. energy: -0.654
local terms energy: -116.831818
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -25.111
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: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -335.578195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.578195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.578195 (E_RNA)
where:
Base-Base interactions energy: -226.063
where: short stacking energy: -114.406
Base-Backbone interact. energy: -0.639
local terms energy: -108.875582
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -27.959
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: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -277.968504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.968504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.968504 (E_RNA)
where:
Base-Base interactions energy: -178.907
where: short stacking energy: -93.317
Base-Backbone interact. energy: -0.196
local terms energy: -98.866306
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -24.042
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: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -241.790194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790194 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -84.398
Base-Backbone interact. energy: -1.129
local terms energy: -99.947727
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -15.793
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: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -207.814749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.814749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.814749 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -66.749
Base-Backbone interact. energy: 0.122
local terms energy: -72.632541
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -6.487
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -138.097225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.097225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.097225 (E_RNA)
where:
Base-Base interactions energy: -61.518
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.594
local terms energy: -75.985290
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -153.719448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.719448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.719448 (E_RNA)
where:
Base-Base interactions energy: -78.511
where: short stacking energy: -50.053
Base-Backbone interact. energy: -1.265
local terms energy: -73.943336
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -123.701925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.701925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.701925 (E_RNA)
where:
Base-Base interactions energy: -62.904
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.344
local terms energy: -60.454332
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -369.852413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.852413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.852413 (E_RNA)
where:
Base-Base interactions energy: -244.487
where: short stacking energy: -126.846
Base-Backbone interact. energy: -0.022
local terms energy: -125.343260
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -33.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -349.531278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.531278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.531278 (E_RNA)
where:
Base-Base interactions energy: -224.013
where: short stacking energy: -98.948
Base-Backbone interact. energy: -1.134
local terms energy: -124.383886
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -28.782
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: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -330.635066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.635066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.635066 (E_RNA)
where:
Base-Base interactions energy: -212.929
where: short stacking energy: -97.309
Base-Backbone interact. energy: -0.196
local terms energy: -117.510095
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -19.618
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: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -325.991052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.991052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.991052 (E_RNA)
where:
Base-Base interactions energy: -222.623
where: short stacking energy: -109.481
Base-Backbone interact. energy: -0.652
local terms energy: -102.716114
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -286.044838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.044838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.044838 (E_RNA)
where:
Base-Base interactions energy: -178.115
where: short stacking energy: -97.083
Base-Backbone interact. energy: 0.380
local terms energy: -108.310054
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -215.100030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.100030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.100030 (E_RNA)
where:
Base-Base interactions energy: -124.156
where: short stacking energy: -71.700
Base-Backbone interact. energy: -0.302
local terms energy: -90.641807
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -9.628
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: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -255.401115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.401115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.401115 (E_RNA)
where:
Base-Base interactions energy: -161.888
where: short stacking energy: -94.637
Base-Backbone interact. energy: -0.014
local terms energy: -93.499255
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -21.828
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -152.534620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.534620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.534620 (E_RNA)
where:
Base-Base interactions energy: -79.550
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.608
local terms energy: -72.376410
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -137.564477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.564477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.564477 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -55.478
Base-Backbone interact. energy: 0.052
local terms energy: -82.844899
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -130.244533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.244533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.244533 (E_RNA)
where:
Base-Base interactions energy: -56.485
where: short stacking energy: -35.202
Base-Backbone interact. energy: 1.029
local terms energy: -74.788186
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -363.568946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.568946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.568946 (E_RNA)
where:
Base-Base interactions energy: -243.182
where: short stacking energy: -121.112
Base-Backbone interact. energy: 1.026
local terms energy: -121.412725
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -32.519
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: 146
Temperature: 0.950000
Total energy: -362.713450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.713450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.713450 (E_RNA)
where:
Base-Base interactions energy: -249.998
where: short stacking energy: -112.585
Base-Backbone interact. energy: -0.847
local terms energy: -111.867788
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -336.161105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.161105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.161105 (E_RNA)
where:
Base-Base interactions energy: -221.808
where: short stacking energy: -113.629
Base-Backbone interact. energy: -0.250
local terms energy: -114.103438
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -313.002824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.002824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.002824 (E_RNA)
where:
Base-Base interactions energy: -207.298
where: short stacking energy: -102.483
Base-Backbone interact. energy: -0.147
local terms energy: -105.557683
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -300.518376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.518376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.518376 (E_RNA)
where:
Base-Base interactions energy: -204.000
where: short stacking energy: -100.829
Base-Backbone interact. energy: -1.207
local terms energy: -95.311553
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -221.997392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.997392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.997392 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -79.494
Base-Backbone interact. energy: 0.252
local terms energy: -79.564399
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -242.773461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.773461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.773461 (E_RNA)
where:
Base-Base interactions energy: -151.090
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.687
local terms energy: -90.995768
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -151.746967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.746967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.746967 (E_RNA)
where:
Base-Base interactions energy: -75.631
where: short stacking energy: -60.975
Base-Backbone interact. energy: 0.124
local terms energy: -76.240441
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -135.899510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.899510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.899510 (E_RNA)
where:
Base-Base interactions energy: -58.030
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.099
local terms energy: -77.770952
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -137.834539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.834539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.834539 (E_RNA)
where:
Base-Base interactions energy: -71.010
where: short stacking energy: -40.507
Base-Backbone interact. energy: -0.042
local terms energy: -66.782481
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -362.770876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.770876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.770876 (E_RNA)
where:
Base-Base interactions energy: -243.912
where: short stacking energy: -128.521
Base-Backbone interact. energy: -0.640
local terms energy: -118.218921
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -33.293
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: 147
Temperature: 0.950000
Total energy: -356.210603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.210603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.210603 (E_RNA)
where:
Base-Base interactions energy: -237.712
where: short stacking energy: -109.709
Base-Backbone interact. energy: -1.085
local terms energy: -117.413318
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -342.672407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.672407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.672407 (E_RNA)
where:
Base-Base interactions energy: -222.528
where: short stacking energy: -114.069
Base-Backbone interact. energy: -1.196
local terms energy: -118.948054
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -31.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -314.637036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.637036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.637036 (E_RNA)
where:
Base-Base interactions energy: -201.189
where: short stacking energy: -105.069
Base-Backbone interact. energy: -0.265
local terms energy: -113.182979
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -323.569892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.569892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.569892 (E_RNA)
where:
Base-Base interactions energy: -211.618
where: short stacking energy: -106.949
Base-Backbone interact. energy: -0.537
local terms energy: -111.414295
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -253.066025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.066025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.066025 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -93.897
Base-Backbone interact. energy: -1.811
local terms energy: -100.536019
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -218.860073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860073 (E_RNA)
where:
Base-Base interactions energy: -136.720
where: short stacking energy: -87.741
Base-Backbone interact. energy: 0.353
local terms energy: -82.493601
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -151.131226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.131226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.131226 (E_RNA)
where:
Base-Base interactions energy: -76.823
where: short stacking energy: -51.266
Base-Backbone interact. energy: 0.942
local terms energy: -75.250294
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -4.136
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: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -143.250405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.250405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.250405 (E_RNA)
where:
Base-Base interactions energy: -62.346
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.372
local terms energy: -80.532097
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -133.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.978112 (E_RNA)
where:
Base-Base interactions energy: -51.649
where: short stacking energy: -49.667
Base-Backbone interact. energy: -0.447
local terms energy: -81.881678
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -0.729
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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -356.648009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.648009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.648009 (E_RNA)
where:
Base-Base interactions energy: -249.399
where: short stacking energy: -112.624
Base-Backbone interact. energy: 0.106
local terms energy: -107.355520
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -24.894
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: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -353.424612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.424612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.424612 (E_RNA)
where:
Base-Base interactions energy: -231.302
where: short stacking energy: -126.872
Base-Backbone interact. energy: -0.017
local terms energy: -122.105939
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -33.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -321.905930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.905930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.905930 (E_RNA)
where:
Base-Base interactions energy: -209.109
where: short stacking energy: -111.091
Base-Backbone interact. energy: -0.082
local terms energy: -112.714737
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -31.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -318.033419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.033419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.033419 (E_RNA)
where:
Base-Base interactions energy: -214.331
where: short stacking energy: -100.496
Base-Backbone interact. energy: -0.026
local terms energy: -103.676001
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -25.895
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: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -316.549950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.549950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.549950 (E_RNA)
where:
Base-Base interactions energy: -215.884
where: short stacking energy: -107.865
Base-Backbone interact. energy: -0.095
local terms energy: -100.570426
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -240.561882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.561882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.561882 (E_RNA)
where:
Base-Base interactions energy: -142.683
where: short stacking energy: -83.032
Base-Backbone interact. energy: -0.410
local terms energy: -97.468239
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -219.207199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207199 (E_RNA)
where:
Base-Base interactions energy: -133.205
where: short stacking energy: -75.518
Base-Backbone interact. energy: -1.003
local terms energy: -84.999206
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -11.267
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -141.581814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.581814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.581814 (E_RNA)
where:
Base-Base interactions energy: -52.640
where: short stacking energy: -52.640
Base-Backbone interact. energy: 0.259
local terms energy: -89.201051
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -6.166
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: 148
Temperature: 1.300000
Total energy: -146.267597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.267597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.267597 (E_RNA)
where:
Base-Base interactions energy: -72.729
where: short stacking energy: -51.291
Base-Backbone interact. energy: 0.036
local terms energy: -73.574453
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -3.172
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: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -114.257639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.257639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.257639 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.057
local terms energy: -57.619116
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -4.792
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: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -353.562046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.562046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.562046 (E_RNA)
where:
Base-Base interactions energy: -243.354
where: short stacking energy: -110.724
Base-Backbone interact. energy: -0.329
local terms energy: -109.878718
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -25.549
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: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -339.391510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.391510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.391510 (E_RNA)
where:
Base-Base interactions energy: -229.006
where: short stacking energy: -122.328
Base-Backbone interact. energy: -0.079
local terms energy: -110.306666
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -33.006
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -354.761616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.761616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.761616 (E_RNA)
where:
Base-Base interactions energy: -228.907
where: short stacking energy: -121.948
Base-Backbone interact. energy: -0.002
local terms energy: -125.852852
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -318.190692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.190692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.190692 (E_RNA)
where:
Base-Base interactions energy: -211.662
where: short stacking energy: -101.189
Base-Backbone interact. energy: -0.694
local terms energy: -105.834481
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -320.523369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.523369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.523369 (E_RNA)
where:
Base-Base interactions energy: -207.039
where: short stacking energy: -95.793
Base-Backbone interact. energy: 0.475
local terms energy: -113.959294
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -16.006
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -227.090906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.090906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.090906 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -88.090
Base-Backbone interact. energy: -0.298
local terms energy: -93.550102
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -203.433932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.433932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.433932 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.002
local terms energy: -81.292328
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -132.142773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.142773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.142773 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -49.495
Base-Backbone interact. energy: -1.020
local terms energy: -81.628452
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -6.441
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: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -124.907129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.907129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.907129 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.263
local terms energy: -80.502337
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -135.634833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.634833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.634833 (E_RNA)
where:
Base-Base interactions energy: -55.600
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.345
local terms energy: -79.690370
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: 3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -360.075356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.075356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.075356 (E_RNA)
where:
Base-Base interactions energy: -241.388
where: short stacking energy: -123.595
Base-Backbone interact. energy: -0.099
local terms energy: -118.589052
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -32.863
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: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -343.113942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.113942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.113942 (E_RNA)
where:
Base-Base interactions energy: -236.013
where: short stacking energy: -117.824
Base-Backbone interact. energy: -0.224
local terms energy: -106.877727
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -345.187253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.187253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.187253 (E_RNA)
where:
Base-Base interactions energy: -225.533
where: short stacking energy: -130.035
Base-Backbone interact. energy: -0.240
local terms energy: -119.414615
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -30.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -326.214047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.214047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.214047 (E_RNA)
where:
Base-Base interactions energy: -214.796
where: short stacking energy: -94.441
Base-Backbone interact. energy: -0.010
local terms energy: -111.408728
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -24.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -316.265943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.265943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.265943 (E_RNA)
where:
Base-Base interactions energy: -204.619
where: short stacking energy: -102.101
Base-Backbone interact. energy: 1.583
local terms energy: -113.229993
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -207.029129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.029129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.029129 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.168
local terms energy: -87.859699
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -10.878
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: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -187.970706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.970706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.970706 (E_RNA)
where:
Base-Base interactions energy: -88.420
where: short stacking energy: -84.384
Base-Backbone interact. energy: 0.224
local terms energy: -99.774992
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -14.581
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: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -202.703291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.703291 (E_RNA)
where:
Base-Base interactions energy: -123.165
where: short stacking energy: -76.085
Base-Backbone interact. energy: 0.159
local terms energy: -79.697839
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -132.956010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.956010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.956010 (E_RNA)
where:
Base-Base interactions energy: -69.346
where: short stacking energy: -46.367
Base-Backbone interact. energy: 1.580
local terms energy: -65.189800
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -6.657
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: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -133.159484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.159484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.159484 (E_RNA)
where:
Base-Base interactions energy: -66.833
where: short stacking energy: -44.205
Base-Backbone interact. energy: 1.125
local terms energy: -67.452227
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -356.032022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.032022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.032022 (E_RNA)
where:
Base-Base interactions energy: -231.490
where: short stacking energy: -123.314
Base-Backbone interact. energy: -0.092
local terms energy: -124.450558
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -17.037
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: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -345.405409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.405409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.405409 (E_RNA)
where:
Base-Base interactions energy: -241.734
where: short stacking energy: -114.145
Base-Backbone interact. energy: -0.160
local terms energy: -103.511516
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -25.699
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: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -341.617349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.617349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.617349 (E_RNA)
where:
Base-Base interactions energy: -225.863
where: short stacking energy: -122.207
Base-Backbone interact. energy: -0.016
local terms energy: -115.738263
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -332.226830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.226830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.226830 (E_RNA)
where:
Base-Base interactions energy: -221.617
where: short stacking energy: -118.142
Base-Backbone interact. energy: -0.298
local terms energy: -110.311953
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -312.318635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.318635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.318635 (E_RNA)
where:
Base-Base interactions energy: -213.500
where: short stacking energy: -96.367
Base-Backbone interact. energy: -0.078
local terms energy: -98.740610
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -215.856791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856791 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -82.707
Base-Backbone interact. energy: 0.097
local terms energy: -91.918787
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -153.162405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.162405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.162405 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.121
local terms energy: -82.297627
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -189.071947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.071947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.071947 (E_RNA)
where:
Base-Base interactions energy: -106.863
where: short stacking energy: -66.137
Base-Backbone interact. energy: -0.281
local terms energy: -81.928311
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -131.709521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.709521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.709521 (E_RNA)
where:
Base-Base interactions energy: -55.195
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.198
local terms energy: -76.316358
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -8.427
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: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -180.204858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.204858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.204858 (E_RNA)
where:
Base-Base interactions energy: -98.576
where: short stacking energy: -72.009
Base-Backbone interact. energy: 0.695
local terms energy: -82.323351
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -359.827125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.827125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.827125 (E_RNA)
where:
Base-Base interactions energy: -242.866
where: short stacking energy: -108.582
Base-Backbone interact. energy: -0.452
local terms energy: -116.508453
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: -21.775
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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -347.950645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.950645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.950645 (E_RNA)
where:
Base-Base interactions energy: -216.466
where: short stacking energy: -118.411
Base-Backbone interact. energy: -0.208
local terms energy: -131.276698
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -32.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -335.580121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.580121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.580121 (E_RNA)
where:
Base-Base interactions energy: -220.344
where: short stacking energy: -117.592
Base-Backbone interact. energy: -0.036
local terms energy: -115.200315
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -332.204592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.204592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.204592 (E_RNA)
where:
Base-Base interactions energy: -218.064
where: short stacking energy: -116.580
Base-Backbone interact. energy: -0.110
local terms energy: -114.030653
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -27.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -318.934325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.934325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.934325 (E_RNA)
where:
Base-Base interactions energy: -221.196
where: short stacking energy: -112.358
Base-Backbone interact. energy: -0.001
local terms energy: -97.737118
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -211.835117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.835117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.835117 (E_RNA)
where:
Base-Base interactions energy: -132.781
where: short stacking energy: -66.710
Base-Backbone interact. energy: -1.032
local terms energy: -78.022457
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -11.263
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: 152
Temperature: 1.200000
Total energy: -199.483617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.483617 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -72.869
Base-Backbone interact. energy: -0.030
local terms energy: -80.875974
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -146.877031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.877031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.877031 (E_RNA)
where:
Base-Base interactions energy: -59.295
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.133
local terms energy: -87.448865
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -124.130279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.130279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.130279 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -44.930
Base-Backbone interact. energy: -1.204
local terms energy: -77.023002
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -127.726868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.726868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.726868 (E_RNA)
where:
Base-Base interactions energy: -54.560
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.271
local terms energy: -72.896010
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -355.369272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.369272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.369272 (E_RNA)
where:
Base-Base interactions energy: -249.010
where: short stacking energy: -106.820
Base-Backbone interact. energy: -1.645
local terms energy: -104.713886
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -350.868671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.868671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.868671 (E_RNA)
where:
Base-Base interactions energy: -237.336
where: short stacking energy: -119.428
Base-Backbone interact. energy: -0.163
local terms energy: -113.369334
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -29.615
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -340.923217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.923217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.923217 (E_RNA)
where:
Base-Base interactions energy: -219.819
where: short stacking energy: -112.139
Base-Backbone interact. energy: 0.305
local terms energy: -121.409450
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -14.820
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: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -312.048857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.048857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.048857 (E_RNA)
where:
Base-Base interactions energy: -222.303
where: short stacking energy: -111.152
Base-Backbone interact. energy: -0.327
local terms energy: -89.419209
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -310.229467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.229467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.229467 (E_RNA)
where:
Base-Base interactions energy: -200.023
where: short stacking energy: -100.485
Base-Backbone interact. energy: -0.036
local terms energy: -110.170978
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -24.052
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: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -209.714603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.714603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.714603 (E_RNA)
where:
Base-Base interactions energy: -117.922
where: short stacking energy: -61.263
Base-Backbone interact. energy: -1.085
local terms energy: -90.707638
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -210.615213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615213 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -82.304
Base-Backbone interact. energy: -1.321
local terms energy: -85.764687
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -152.562282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.562282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.562282 (E_RNA)
where:
Base-Base interactions energy: -75.350
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.226
local terms energy: -76.986154
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -138.898219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.898219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.898219 (E_RNA)
where:
Base-Base interactions energy: -62.297
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.184
local terms energy: -76.417645
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -137.920961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.920961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.920961 (E_RNA)
where:
Base-Base interactions energy: -60.361
where: short stacking energy: -54.865
Base-Backbone interact. energy: -0.242
local terms energy: -77.318185
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -364.335559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.335559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.335559 (E_RNA)
where:
Base-Base interactions energy: -248.317
where: short stacking energy: -111.705
Base-Backbone interact. energy: -0.552
local terms energy: -115.466809
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -25.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -338.482700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.482700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.482700 (E_RNA)
where:
Base-Base interactions energy: -222.480
where: short stacking energy: -117.432
Base-Backbone interact. energy: -0.377
local terms energy: -115.625014
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -27.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -337.304014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.304014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.304014 (E_RNA)
where:
Base-Base interactions energy: -218.493
where: short stacking energy: -111.754
Base-Backbone interact. energy: -0.216
local terms energy: -118.594920
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -31.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -314.483681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.483681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.483681 (E_RNA)
where:
Base-Base interactions energy: -209.064
where: short stacking energy: -105.906
Base-Backbone interact. energy: -0.847
local terms energy: -104.572174
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -317.975230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.975230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.975230 (E_RNA)
where:
Base-Base interactions energy: -208.378
where: short stacking energy: -115.670
Base-Backbone interact. energy: -0.221
local terms energy: -109.375308
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -29.508
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -219.449191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449191 (E_RNA)
where:
Base-Base interactions energy: -136.234
where: short stacking energy: -70.993
Base-Backbone interact. energy: -0.494
local terms energy: -82.720747
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -14.955
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: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -221.217841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.217841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.217841 (E_RNA)
where:
Base-Base interactions energy: -128.624
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.801
local terms energy: -91.792728
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -11.038
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -140.857021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.857021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.857021 (E_RNA)
where:
Base-Base interactions energy: -63.251
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.269
local terms energy: -77.336842
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -135.818624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.818624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.818624 (E_RNA)
where:
Base-Base interactions energy: -58.673
where: short stacking energy: -53.701
Base-Backbone interact. energy: -0.371
local terms energy: -76.775163
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -5.043
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: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -120.628107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.628107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.628107 (E_RNA)
where:
Base-Base interactions energy: -50.873
where: short stacking energy: -50.873
Base-Backbone interact. energy: -0.198
local terms energy: -69.557482
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -359.344267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.344267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.344267 (E_RNA)
where:
Base-Base interactions energy: -246.129
where: short stacking energy: -105.374
Base-Backbone interact. energy: 1.951
local terms energy: -115.165963
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -331.557820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.557820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.557820 (E_RNA)
where:
Base-Base interactions energy: -217.657
where: short stacking energy: -113.960
Base-Backbone interact. energy: -1.064
local terms energy: -112.836987
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -330.428783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.428783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.428783 (E_RNA)
where:
Base-Base interactions energy: -214.685
where: short stacking energy: -107.088
Base-Backbone interact. energy: -2.544
local terms energy: -113.199235
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -320.725952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.725952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.725952 (E_RNA)
where:
Base-Base interactions energy: -215.365
where: short stacking energy: -114.750
Base-Backbone interact. energy: -0.246
local terms energy: -105.114618
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -26.973
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -309.352495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.352495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.352495 (E_RNA)
where:
Base-Base interactions energy: -196.052
where: short stacking energy: -104.997
Base-Backbone interact. energy: 0.747
local terms energy: -114.047986
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -23.773
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: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -239.145239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.145239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.145239 (E_RNA)
where:
Base-Base interactions energy: -149.180
where: short stacking energy: -77.917
Base-Backbone interact. energy: -0.224
local terms energy: -89.741555
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -210.250042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.250042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.250042 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.376
local terms energy: -85.306069
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -138.185513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.185513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.185513 (E_RNA)
where:
Base-Base interactions energy: -57.968
where: short stacking energy: -57.968
Base-Backbone interact. energy: 0.282
local terms energy: -80.500009
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -138.051057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.051057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.051057 (E_RNA)
where:
Base-Base interactions energy: -57.211
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.098
local terms energy: -80.741622
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -124.233731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.233731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.233731 (E_RNA)
where:
Base-Base interactions energy: -48.751
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.053
local terms energy: -75.429903
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -359.847204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.847204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.847204 (E_RNA)
where:
Base-Base interactions energy: -249.144
where: short stacking energy: -115.626
Base-Backbone interact. energy: 1.705
local terms energy: -112.408616
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -342.796036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.796036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.796036 (E_RNA)
where:
Base-Base interactions energy: -221.194
where: short stacking energy: -116.140
Base-Backbone interact. energy: -0.697
local terms energy: -120.905650
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -31.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -334.682607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.682607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.682607 (E_RNA)
where:
Base-Base interactions energy: -215.638
where: short stacking energy: -110.981
Base-Backbone interact. energy: -0.077
local terms energy: -118.967183
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -30.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -317.413066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.413066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.413066 (E_RNA)
where:
Base-Base interactions energy: -205.749
where: short stacking energy: -93.076
Base-Backbone interact. energy: -1.593
local terms energy: -110.070423
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -23.301
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: 156
Temperature: 1.100000
Total energy: -288.764157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.764157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.764157 (E_RNA)
where:
Base-Base interactions energy: -199.405
where: short stacking energy: -104.526
Base-Backbone interact. energy: -0.330
local terms energy: -89.030102
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -220.948990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948990 (E_RNA)
where:
Base-Base interactions energy: -131.723
where: short stacking energy: -65.773
Base-Backbone interact. energy: -1.380
local terms energy: -87.845497
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -9.871
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -202.923782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.923782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923782 (E_RNA)
where:
Base-Base interactions energy: -118.378
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.354
local terms energy: -84.191469
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -175.980823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.980823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.980823 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.410
local terms energy: -85.346809
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -7.254
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -148.300027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.300027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.300027 (E_RNA)
where:
Base-Base interactions energy: -74.778
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.430
local terms energy: -73.091859
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -5.947
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: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -130.508014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.508014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.508014 (E_RNA)
where:
Base-Base interactions energy: -53.720
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.339
local terms energy: -76.448940
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -3.665
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: 157
Temperature: 0.900000
Total energy: -349.516021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.516021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.516021 (E_RNA)
where:
Base-Base interactions energy: -232.114
where: short stacking energy: -107.775
Base-Backbone interact. energy: -1.699
local terms energy: -115.703321
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -27.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -345.537875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.537875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.537875 (E_RNA)
where:
Base-Base interactions energy: -226.173
where: short stacking energy: -117.632
Base-Backbone interact. energy: -0.673
local terms energy: -118.691573
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -336.920084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.920084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.920084 (E_RNA)
where:
Base-Base interactions energy: -229.698
where: short stacking energy: -116.826
Base-Backbone interact. energy: -0.092
local terms energy: -107.130784
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -322.947698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.947698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.947698 (E_RNA)
where:
Base-Base interactions energy: -205.565
where: short stacking energy: -101.449
Base-Backbone interact. energy: -0.789
local terms energy: -116.592945
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -289.113700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.113700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.113700 (E_RNA)
where:
Base-Base interactions energy: -189.596
where: short stacking energy: -103.915
Base-Backbone interact. energy: -0.431
local terms energy: -99.086846
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -207.794492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.794492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.794492 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.832
local terms energy: -76.815170
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -234.813588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.813588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.813588 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.760
local terms energy: -96.551110
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -14.700
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -197.683908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.683908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.683908 (E_RNA)
where:
Base-Base interactions energy: -100.672
where: short stacking energy: -70.927
Base-Backbone interact. energy: 1.592
local terms energy: -98.603916
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -182.454120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.454120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.454120 (E_RNA)
where:
Base-Base interactions energy: -101.306
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.092
local terms energy: -81.055469
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -145.628455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.628455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.628455 (E_RNA)
where:
Base-Base interactions energy: -61.228
where: short stacking energy: -46.592
Base-Backbone interact. energy: -1.183
local terms energy: -83.217865
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -358.637839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.637839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.637839 (E_RNA)
where:
Base-Base interactions energy: -241.650
where: short stacking energy: -116.013
Base-Backbone interact. energy: -1.530
local terms energy: -115.457626
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -27.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -334.631555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.631555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.631555 (E_RNA)
where:
Base-Base interactions energy: -227.786
where: short stacking energy: -120.280
Base-Backbone interact. energy: -0.039
local terms energy: -106.806975
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -335.945911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.945911 (E_RNA)
where:
Base-Base interactions energy: -228.583
where: short stacking energy: -120.843
Base-Backbone interact. energy: -0.052
local terms energy: -107.310482
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -32.395
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: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -328.330049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.330049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.330049 (E_RNA)
where:
Base-Base interactions energy: -222.669
where: short stacking energy: -115.126
Base-Backbone interact. energy: -0.148
local terms energy: -105.513037
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -24.300
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: 158
Temperature: 1.100000
Total energy: -289.842855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.842855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.842855 (E_RNA)
where:
Base-Base interactions energy: -184.631
where: short stacking energy: -101.344
Base-Backbone interact. energy: 1.320
local terms energy: -106.532382
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -23.797
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -21.536
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -253.280590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.280590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.280590 (E_RNA)
where:
Base-Base interactions energy: -143.452
where: short stacking energy: -89.835
Base-Backbone interact. energy: -0.108
local terms energy: -109.720340
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -227.972951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.972951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.972951 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -71.105
Base-Backbone interact. energy: 2.704
local terms energy: -83.201625
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -184.802344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.802344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.802344 (E_RNA)
where:
Base-Base interactions energy: -104.614
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.978
local terms energy: -79.210702
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -7.475
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: 158
Temperature: 1.300000
Total energy: -169.136556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.136556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.136556 (E_RNA)
where:
Base-Base interactions energy: -90.871
where: short stacking energy: -52.159
Base-Backbone interact. energy: 0.035
local terms energy: -78.300415
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -121.070078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.070078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.070078 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -36.742
Base-Backbone interact. energy: -0.788
local terms energy: -78.373258
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -357.243765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.243765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.243765 (E_RNA)
where:
Base-Base interactions energy: -235.749
where: short stacking energy: -113.897
Base-Backbone interact. energy: -1.158
local terms energy: -120.336695
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -344.633749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.633749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.633749 (E_RNA)
where:
Base-Base interactions energy: -228.375
where: short stacking energy: -119.534
Base-Backbone interact. energy: -0.126
local terms energy: -116.132831
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -25.933
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -335.807666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.807666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.807666 (E_RNA)
where:
Base-Base interactions energy: -216.692
where: short stacking energy: -105.715
Base-Backbone interact. energy: 0.549
local terms energy: -119.664973
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -29.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -323.345155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.345155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.345155 (E_RNA)
where:
Base-Base interactions energy: -220.524
where: short stacking energy: -121.255
Base-Backbone interact. energy: -0.070
local terms energy: -102.751511
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -299.715127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.715127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.715127 (E_RNA)
where:
Base-Base interactions energy: -199.655
where: short stacking energy: -99.835
Base-Backbone interact. energy: 0.299
local terms energy: -100.359691
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -253.823531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.823531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.823531 (E_RNA)
where:
Base-Base interactions energy: -154.901
where: short stacking energy: -88.881
Base-Backbone interact. energy: -0.882
local terms energy: -98.041028
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -229.119052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.119052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.119052 (E_RNA)
where:
Base-Base interactions energy: -129.966
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.580
local terms energy: -98.573446
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -211.099976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.099976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.099976 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -82.233
Base-Backbone interact. energy: -0.115
local terms energy: -89.044825
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -12.700
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -133.021229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.021229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.021229 (E_RNA)
where:
Base-Base interactions energy: -54.939
where: short stacking energy: -53.477
Base-Backbone interact. energy: -0.393
local terms energy: -77.689669
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -12.185
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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -123.940032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.940032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.940032 (E_RNA)
where:
Base-Base interactions energy: -58.693
where: short stacking energy: -51.193
Base-Backbone interact. energy: 2.861
local terms energy: -68.108506
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: 1.754
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: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -361.415468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.415468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.415468 (E_RNA)
where:
Base-Base interactions energy: -248.756
where: short stacking energy: -111.107
Base-Backbone interact. energy: -0.800
local terms energy: -111.859651
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -26.154
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -352.815792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.815792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.815792 (E_RNA)
where:
Base-Base interactions energy: -239.117
where: short stacking energy: -112.316
Base-Backbone interact. energy: -1.727
local terms energy: -111.972287
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -28.755
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: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -353.626519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.626519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.626519 (E_RNA)
where:
Base-Base interactions energy: -234.130
where: short stacking energy: -129.844
Base-Backbone interact. energy: -0.817
local terms energy: -118.679053
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -31.678
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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -322.484433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.484433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.484433 (E_RNA)
where:
Base-Base interactions energy: -215.225
where: short stacking energy: -104.225
Base-Backbone interact. energy: -0.878
local terms energy: -106.381956
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -238.977324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.977324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.977324 (E_RNA)
where:
Base-Base interactions energy: -143.793
where: short stacking energy: -81.815
Base-Backbone interact. energy: 0.562
local terms energy: -95.746210
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -295.964660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.964660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.964660 (E_RNA)
where:
Base-Base interactions energy: -204.435
where: short stacking energy: -108.099
Base-Backbone interact. energy: -0.745
local terms energy: -90.784379
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -190.225889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225889 (E_RNA)
where:
Base-Base interactions energy: -105.262
where: short stacking energy: -75.776
Base-Backbone interact. energy: -0.154
local terms energy: -84.809338
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -196.408390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.408390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.408390 (E_RNA)
where:
Base-Base interactions energy: -110.885
where: short stacking energy: -67.244
Base-Backbone interact. energy: -1.067
local terms energy: -84.456744
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -12.257
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -136.374186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.374186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.374186 (E_RNA)
where:
Base-Base interactions energy: -55.094
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.178
local terms energy: -81.102128
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -126.393246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.393246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.393246 (E_RNA)
where:
Base-Base interactions energy: -49.472
where: short stacking energy: -49.472
Base-Backbone interact. energy: 0.448
local terms energy: -77.370132
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -351.678320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.678320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.678320 (E_RNA)
where:
Base-Base interactions energy: -231.673
where: short stacking energy: -113.326
Base-Backbone interact. energy: 0.131
local terms energy: -120.136679
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -26.396
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -22.253
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -384.870543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.870543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.870543 (E_RNA)
where:
Base-Base interactions energy: -260.065
where: short stacking energy: -131.156
Base-Backbone interact. energy: -0.383
local terms energy: -124.423146
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -34.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -340.793638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.793638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.793638 (E_RNA)
where:
Base-Base interactions energy: -226.128
where: short stacking energy: -114.337
Base-Backbone interact. energy: -1.669
local terms energy: -112.996388
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -33.871
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: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -316.933678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.933678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.933678 (E_RNA)
where:
Base-Base interactions energy: -209.135
where: short stacking energy: -105.831
Base-Backbone interact. energy: -0.246
local terms energy: -107.553149
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -258.694159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.694159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.694159 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -104.614
Base-Backbone interact. energy: -0.316
local terms energy: -93.965109
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -285.694562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.694562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.694562 (E_RNA)
where:
Base-Base interactions energy: -190.981
where: short stacking energy: -89.705
Base-Backbone interact. energy: -0.711
local terms energy: -94.002865
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -17.723
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: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -198.257366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.257366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.257366 (E_RNA)
where:
Base-Base interactions energy: -97.938
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.870
local terms energy: -99.448730
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -196.052535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.052535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.052535 (E_RNA)
where:
Base-Base interactions energy: -112.371
where: short stacking energy: -58.409
Base-Backbone interact. energy: -1.158
local terms energy: -82.524123
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -129.823279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.823279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.823279 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -60.687
Base-Backbone interact. energy: -1.074
local terms energy: -52.642021
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -118.227196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227196 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.229
local terms energy: -73.178399
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -393.089096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.089096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.089096 (E_RNA)
where:
Base-Base interactions energy: -257.326
where: short stacking energy: -138.270
Base-Backbone interact. energy: -0.289
local terms energy: -135.473871
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -38.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -348.838091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.838091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.838091 (E_RNA)
where:
Base-Base interactions energy: -242.874
where: short stacking energy: -100.027
Base-Backbone interact. energy: -0.975
local terms energy: -104.988428
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -23.102
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -349.658097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.658097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.658097 (E_RNA)
where:
Base-Base interactions energy: -229.493
where: short stacking energy: -126.328
Base-Backbone interact. energy: 0.371
local terms energy: -120.536364
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -33.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -291.285477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.285477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.285477 (E_RNA)
where:
Base-Base interactions energy: -188.926
where: short stacking energy: -80.493
Base-Backbone interact. energy: -1.049
local terms energy: -101.310532
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -12.635
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: 162
Temperature: 1.100000
Total energy: -250.641124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.641124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.641124 (E_RNA)
where:
Base-Base interactions energy: -152.304
where: short stacking energy: -84.265
Base-Backbone interact. energy: 0.185
local terms energy: -98.521990
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -262.393878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.393878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.393878 (E_RNA)
where:
Base-Base interactions energy: -162.799
where: short stacking energy: -77.702
Base-Backbone interact. energy: 0.827
local terms energy: -100.421771
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -191.465513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.465513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.465513 (E_RNA)
where:
Base-Base interactions energy: -105.424
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.359
local terms energy: -85.682430
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -204.760930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.760930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.760930 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -75.424
Base-Backbone interact. energy: -0.139
local terms energy: -94.830415
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -18.147
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: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -132.316002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.316002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.316002 (E_RNA)
where:
Base-Base interactions energy: -50.941
where: short stacking energy: -36.641
Base-Backbone interact. energy: 2.646
local terms energy: -84.021115
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -7.559
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: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -117.148506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.148506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.148506 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -45.611
Base-Backbone interact. energy: -0.622
local terms energy: -67.216186
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -393.828445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.828445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.828445 (E_RNA)
where:
Base-Base interactions energy: -275.790
where: short stacking energy: -137.682
Base-Backbone interact. energy: -0.269
local terms energy: -117.769877
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -30.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -346.310847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.310847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.310847 (E_RNA)
where:
Base-Base interactions energy: -227.893
where: short stacking energy: -118.978
Base-Backbone interact. energy: -0.317
local terms energy: -118.101268
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -331.847895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.847895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.847895 (E_RNA)
where:
Base-Base interactions energy: -229.147
where: short stacking energy: -107.189
Base-Backbone interact. energy: -0.907
local terms energy: -101.793398
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -294.042758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.042758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.042758 (E_RNA)
where:
Base-Base interactions energy: -188.236
where: short stacking energy: -84.450
Base-Backbone interact. energy: -0.955
local terms energy: -104.851866
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -19.060
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: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -260.155212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.155212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.155212 (E_RNA)
where:
Base-Base interactions energy: -161.755
where: short stacking energy: -107.017
Base-Backbone interact. energy: -0.265
local terms energy: -98.134572
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -281.707621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.707621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.707621 (E_RNA)
where:
Base-Base interactions energy: -190.507
where: short stacking energy: -98.892
Base-Backbone interact. energy: -0.621
local terms energy: -90.579663
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -195.977242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.977242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.977242 (E_RNA)
where:
Base-Base interactions energy: -118.234
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.091
local terms energy: -77.652671
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -198.497572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.497572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.497572 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.067
local terms energy: -85.576999
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -134.683570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.683570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.683570 (E_RNA)
where:
Base-Base interactions energy: -62.437
where: short stacking energy: -50.235
Base-Backbone interact. energy: 0.192
local terms energy: -72.438841
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -153.173942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.173942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.173942 (E_RNA)
where:
Base-Base interactions energy: -85.498
where: short stacking energy: -57.240
Base-Backbone interact. energy: 1.030
local terms energy: -68.705767
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -2.792
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: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -388.310204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.310204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.310204 (E_RNA)
where:
Base-Base interactions energy: -266.190
where: short stacking energy: -134.445
Base-Backbone interact. energy: -0.375
local terms energy: -121.744756
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -37.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -343.468273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.468273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.468273 (E_RNA)
where:
Base-Base interactions energy: -231.674
where: short stacking energy: -119.270
Base-Backbone interact. energy: -0.962
local terms energy: -110.832448
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -353.325638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.325638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.325638 (E_RNA)
where:
Base-Base interactions energy: -234.635
where: short stacking energy: -107.952
Base-Backbone interact. energy: -1.149
local terms energy: -117.542032
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -25.436
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -303.772979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.772979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.772979 (E_RNA)
where:
Base-Base interactions energy: -198.101
where: short stacking energy: -93.599
Base-Backbone interact. energy: -0.204
local terms energy: -105.467510
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -25.225
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: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -257.924697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.924697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.924697 (E_RNA)
where:
Base-Base interactions energy: -149.348
where: short stacking energy: -97.309
Base-Backbone interact. energy: -0.088
local terms energy: -108.488521
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -243.646710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.646710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.646710 (E_RNA)
where:
Base-Base interactions energy: -144.610
where: short stacking energy: -79.739
Base-Backbone interact. energy: -2.857
local terms energy: -96.179401
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -13.042
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -217.727845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.727845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.727845 (E_RNA)
where:
Base-Base interactions energy: -134.011
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.203
local terms energy: -83.514036
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -10.010
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: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -155.047223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.047223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.047223 (E_RNA)
where:
Base-Base interactions energy: -69.273
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.145
local terms energy: -85.629351
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -8.158
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: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -129.878052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.878052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.878052 (E_RNA)
where:
Base-Base interactions energy: -58.200
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.644
local terms energy: -71.033367
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -118.748547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.748547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.748547 (E_RNA)
where:
Base-Base interactions energy: -54.656
where: short stacking energy: -41.574
Base-Backbone interact. energy: -0.616
local terms energy: -63.476192
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -383.698177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.698177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.698177 (E_RNA)
where:
Base-Base interactions energy: -267.638
where: short stacking energy: -134.652
Base-Backbone interact. energy: -2.172
local terms energy: -113.888093
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -351.931348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.931348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.931348 (E_RNA)
where:
Base-Base interactions energy: -246.524
where: short stacking energy: -110.407
Base-Backbone interact. energy: -0.701
local terms energy: -104.706019
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -334.775083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.775083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.775083 (E_RNA)
where:
Base-Base interactions energy: -224.826
where: short stacking energy: -114.933
Base-Backbone interact. energy: 0.550
local terms energy: -110.498823
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -28.591
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: 165
Temperature: 1.050000
Total energy: -274.543565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.543565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.543565 (E_RNA)
where:
Base-Base interactions energy: -175.297
where: short stacking energy: -103.581
Base-Backbone interact. energy: -0.336
local terms energy: -98.910593
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -292.988609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.988609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.988609 (E_RNA)
where:
Base-Base interactions energy: -190.941
where: short stacking energy: -100.629
Base-Backbone interact. energy: 1.504
local terms energy: -103.551871
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -245.485339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.485339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.485339 (E_RNA)
where:
Base-Base interactions energy: -159.924
where: short stacking energy: -79.530
Base-Backbone interact. energy: -0.152
local terms energy: -85.409660
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -14.802
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: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -223.846738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.846738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.846738 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.173
local terms energy: -94.091784
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -148.500270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.500270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.500270 (E_RNA)
where:
Base-Base interactions energy: -69.699
where: short stacking energy: -70.099
Base-Backbone interact. energy: -0.421
local terms energy: -78.380539
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -9.628
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: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -150.768690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.768690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.768690 (E_RNA)
where:
Base-Base interactions energy: -82.909
where: short stacking energy: -40.258
Base-Backbone interact. energy: -1.483
local terms energy: -66.376787
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -136.827540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.827540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.827540 (E_RNA)
where:
Base-Base interactions energy: -65.669
where: short stacking energy: -44.051
Base-Backbone interact. energy: -0.452
local terms energy: -70.706672
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -382.102694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.102694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.102694 (E_RNA)
where:
Base-Base interactions energy: -245.314
where: short stacking energy: -133.797
Base-Backbone interact. energy: -0.467
local terms energy: -136.321275
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -37.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -355.970811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.970811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.970811 (E_RNA)
where:
Base-Base interactions energy: -244.068
where: short stacking energy: -115.590
Base-Backbone interact. energy: -1.017
local terms energy: -110.886152
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -28.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -320.831288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.831288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.831288 (E_RNA)
where:
Base-Base interactions energy: -206.434
where: short stacking energy: -105.721
Base-Backbone interact. energy: -0.704
local terms energy: -113.693221
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -249.091666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.091666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.091666 (E_RNA)
where:
Base-Base interactions energy: -147.930
where: short stacking energy: -102.668
Base-Backbone interact. energy: -0.050
local terms energy: -101.111591
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -273.216348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.216348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.216348 (E_RNA)
where:
Base-Base interactions energy: -178.960
where: short stacking energy: -89.924
Base-Backbone interact. energy: -0.957
local terms energy: -93.299458
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -227.592192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592192 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.548
local terms energy: -82.710370
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -13.027
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: 166
Temperature: 1.200000
Total energy: -206.149813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.149813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.149813 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -73.199
Base-Backbone interact. energy: 0.432
local terms energy: -80.990695
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -165.284857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.284857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.284857 (E_RNA)
where:
Base-Base interactions energy: -83.750
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.321
local terms energy: -81.213004
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -140.188108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.188108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.188108 (E_RNA)
where:
Base-Base interactions energy: -60.306
where: short stacking energy: -60.306
Base-Backbone interact. energy: -0.118
local terms energy: -79.763571
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -125.021951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.021951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.021951 (E_RNA)
where:
Base-Base interactions energy: -55.744
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.018
local terms energy: -69.260657
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -388.862608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.862608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.862608 (E_RNA)
where:
Base-Base interactions energy: -261.375
where: short stacking energy: -131.389
Base-Backbone interact. energy: -0.499
local terms energy: -126.988229
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -363.450874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.450874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.450874 (E_RNA)
where:
Base-Base interactions energy: -256.054
where: short stacking energy: -118.145
Base-Backbone interact. energy: -0.635
local terms energy: -106.762631
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -335.500615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.500615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.500615 (E_RNA)
where:
Base-Base interactions energy: -219.917
where: short stacking energy: -119.249
Base-Backbone interact. energy: 0.074
local terms energy: -115.658112
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -285.599267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.599267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.599267 (E_RNA)
where:
Base-Base interactions energy: -176.188
where: short stacking energy: -100.378
Base-Backbone interact. energy: -0.504
local terms energy: -108.906927
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -264.436630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.436630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.436630 (E_RNA)
where:
Base-Base interactions energy: -163.959
where: short stacking energy: -105.407
Base-Backbone interact. energy: -0.746
local terms energy: -99.731952
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -21.371
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: 167
Temperature: 1.150000
Total energy: -236.426458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.426458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.426458 (E_RNA)
where:
Base-Base interactions energy: -151.491
where: short stacking energy: -89.065
Base-Backbone interact. energy: 0.819
local terms energy: -85.754008
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -16.263
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: 167
Temperature: 1.200000
Total energy: -224.459641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.459641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.459641 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -77.199
Base-Backbone interact. energy: 0.194
local terms energy: -88.045932
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -141.556709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.556709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.556709 (E_RNA)
where:
Base-Base interactions energy: -57.452
where: short stacking energy: -53.382
Base-Backbone interact. energy: -0.169
local terms energy: -83.935124
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -6.718
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -155.751178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.751178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.751178 (E_RNA)
where:
Base-Base interactions energy: -76.395
where: short stacking energy: -48.246
Base-Backbone interact. energy: -1.211
local terms energy: -78.145405
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -1.370
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -130.978520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.978520 (E_RNA)
where:
Base-Base interactions energy: -70.086
where: short stacking energy: -55.585
Base-Backbone interact. energy: 0.245
local terms energy: -61.137677
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -388.629831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.629831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.629831 (E_RNA)
where:
Base-Base interactions energy: -263.418
where: short stacking energy: -131.027
Base-Backbone interact. energy: -0.522
local terms energy: -124.690806
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -33.747
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: 168
Temperature: 0.950000
Total energy: -362.134367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.134367 (E_RNA)
where:
Base-Base interactions energy: -257.211
where: short stacking energy: -113.715
Base-Backbone interact. energy: -0.451
local terms energy: -104.472464
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -25.067
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -294.866511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.866511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.866511 (E_RNA)
where:
Base-Base interactions energy: -183.768
where: short stacking energy: -101.649
Base-Backbone interact. energy: -0.450
local terms energy: -110.648139
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -25.461
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -317.570030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.570030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.570030 (E_RNA)
where:
Base-Base interactions energy: -214.927
where: short stacking energy: -107.664
Base-Backbone interact. energy: -1.217
local terms energy: -101.425671
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -21.536
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: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -261.767635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.767635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.767635 (E_RNA)
where:
Base-Base interactions energy: -166.810
where: short stacking energy: -93.844
Base-Backbone interact. energy: -0.525
local terms energy: -94.432573
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -242.431260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.431260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.431260 (E_RNA)
where:
Base-Base interactions energy: -144.787
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.495
local terms energy: -97.148954
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -239.533726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.533726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.533726 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.479
local terms energy: -91.241812
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -143.009166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.009166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.009166 (E_RNA)
where:
Base-Base interactions energy: -74.768
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.080
local terms energy: -68.160524
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -168.007411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.007411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.007411 (E_RNA)
where:
Base-Base interactions energy: -96.862
where: short stacking energy: -46.279
Base-Backbone interact. energy: 1.194
local terms energy: -72.339331
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -10.916
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: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -130.257423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.257423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.257423 (E_RNA)
where:
Base-Base interactions energy: -56.242
where: short stacking energy: -35.094
Base-Backbone interact. energy: -1.028
local terms energy: -72.987881
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -392.711626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.711626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.711626 (E_RNA)
where:
Base-Base interactions energy: -265.337
where: short stacking energy: -135.603
Base-Backbone interact. energy: -0.041
local terms energy: -127.333634
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -36.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -363.617030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.617030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.617030 (E_RNA)
where:
Base-Base interactions energy: -254.522
where: short stacking energy: -110.289
Base-Backbone interact. energy: -0.977
local terms energy: -108.117873
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -298.478032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.478032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.478032 (E_RNA)
where:
Base-Base interactions energy: -186.906
where: short stacking energy: -99.031
Base-Backbone interact. energy: -0.605
local terms energy: -110.967334
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -326.405528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.405528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.405528 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -125.078
Base-Backbone interact. energy: -0.478
local terms energy: -101.412156
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -242.353205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.353205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.353205 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -87.883
Base-Backbone interact. energy: -0.224
local terms energy: -89.540667
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -17.213
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: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -228.668621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.668621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.668621 (E_RNA)
where:
Base-Base interactions energy: -136.969
where: short stacking energy: -81.552
Base-Backbone interact. energy: 0.135
local terms energy: -91.834706
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -209.731090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.731090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.731090 (E_RNA)
where:
Base-Base interactions energy: -124.187
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.167
local terms energy: -85.376143
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -7.382
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: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -176.030272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.030272 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.088
local terms energy: -78.859168
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -130.034641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.034641 (E_RNA)
where:
Base-Base interactions energy: -50.498
where: short stacking energy: -43.106
Base-Backbone interact. energy: 0.786
local terms energy: -80.322225
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -125.417824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.417824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.417824 (E_RNA)
where:
Base-Base interactions energy: -56.861
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.725
local terms energy: -67.831551
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -9.019
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: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -388.092840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.092840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.092840 (E_RNA)
where:
Base-Base interactions energy: -265.916
where: short stacking energy: -137.508
Base-Backbone interact. energy: -0.001
local terms energy: -122.175920
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -36.691
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: 170
Temperature: 0.950000
Total energy: -355.785909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.785909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.785909 (E_RNA)
where:
Base-Base interactions energy: -249.000
where: short stacking energy: -114.156
Base-Backbone interact. energy: 0.046
local terms energy: -106.831580
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -329.246361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.246361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.246361 (E_RNA)
where:
Base-Base interactions energy: -224.235
where: short stacking energy: -118.476
Base-Backbone interact. energy: -0.030
local terms energy: -104.981493
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -28.430
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: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -301.625898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.625898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.625898 (E_RNA)
where:
Base-Base interactions energy: -187.291
where: short stacking energy: -98.110
Base-Backbone interact. energy: -0.155
local terms energy: -114.180126
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -25.009
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: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -254.984078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.984078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.984078 (E_RNA)
where:
Base-Base interactions energy: -159.974
where: short stacking energy: -92.094
Base-Backbone interact. energy: -0.340
local terms energy: -94.669884
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -18.737
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: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -254.840564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.840564 (E_RNA)
where:
Base-Base interactions energy: -165.381
where: short stacking energy: -82.336
Base-Backbone interact. energy: -0.247
local terms energy: -89.211720
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -223.934750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.934750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.934750 (E_RNA)
where:
Base-Base interactions energy: -137.360
where: short stacking energy: -69.755
Base-Backbone interact. energy: 0.334
local terms energy: -86.908210
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -196.406934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.406934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.406934 (E_RNA)
where:
Base-Base interactions energy: -117.173
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.169
local terms energy: -79.065023
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -137.260396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.260396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.260396 (E_RNA)
where:
Base-Base interactions energy: -57.057
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.436
local terms energy: -79.766583
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -146.391796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.391796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.391796 (E_RNA)
where:
Base-Base interactions energy: -66.392
where: short stacking energy: -52.461
Base-Backbone interact. energy: -1.434
local terms energy: -78.565183
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -391.488551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.488551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.488551 (E_RNA)
where:
Base-Base interactions energy: -262.804
where: short stacking energy: -131.171
Base-Backbone interact. energy: -1.111
local terms energy: -127.574122
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -36.718
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -355.678830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.678830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.678830 (E_RNA)
where:
Base-Base interactions energy: -238.226
where: short stacking energy: -118.071
Base-Backbone interact. energy: -0.792
local terms energy: -116.660983
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -337.393119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.393119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.393119 (E_RNA)
where:
Base-Base interactions energy: -219.124
where: short stacking energy: -104.293
Base-Backbone interact. energy: -1.283
local terms energy: -116.985376
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -279.065399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.065399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.065399 (E_RNA)
where:
Base-Base interactions energy: -177.823
where: short stacking energy: -91.798
Base-Backbone interact. energy: -0.095
local terms energy: -101.147438
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -265.465112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.465112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.465112 (E_RNA)
where:
Base-Base interactions energy: -167.522
where: short stacking energy: -84.641
Base-Backbone interact. energy: -0.312
local terms energy: -97.631138
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -248.905070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.905070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.905070 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.509
local terms energy: -97.400091
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -253.851667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.851667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.851667 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -88.928
Base-Backbone interact. energy: -0.306
local terms energy: -87.796165
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -14.511
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -200.050518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.050518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.050518 (E_RNA)
where:
Base-Base interactions energy: -114.018
where: short stacking energy: -75.076
Base-Backbone interact. energy: -0.071
local terms energy: -85.961770
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -10.599
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: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -137.282311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.282311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.282311 (E_RNA)
where:
Base-Base interactions energy: -51.862
where: short stacking energy: -43.365
Base-Backbone interact. energy: -0.580
local terms energy: -84.840254
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -143.348873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.348873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.348873 (E_RNA)
where:
Base-Base interactions energy: -63.581
where: short stacking energy: -58.117
Base-Backbone interact. energy: -1.314
local terms energy: -78.454692
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -6.694
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -377.576905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.576905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.576905 (E_RNA)
where:
Base-Base interactions energy: -254.426
where: short stacking energy: -132.164
Base-Backbone interact. energy: -0.000
local terms energy: -123.150831
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -35.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -353.685104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.685104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.685104 (E_RNA)
where:
Base-Base interactions energy: -241.752
where: short stacking energy: -113.263
Base-Backbone interact. energy: -0.655
local terms energy: -111.278016
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -326.875152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.875152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.875152 (E_RNA)
where:
Base-Base interactions energy: -214.672
where: short stacking energy: -106.694
Base-Backbone interact. energy: -1.739
local terms energy: -110.464175
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -29.208
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -288.824429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.824429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.824429 (E_RNA)
where:
Base-Base interactions energy: -175.208
where: short stacking energy: -100.162
Base-Backbone interact. energy: -0.199
local terms energy: -113.416678
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -268.695900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.695900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.695900 (E_RNA)
where:
Base-Base interactions energy: -160.379
where: short stacking energy: -98.137
Base-Backbone interact. energy: -0.181
local terms energy: -108.135977
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -23.986
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: 172
Temperature: 1.150000
Total energy: -258.734510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.734510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.734510 (E_RNA)
where:
Base-Base interactions energy: -155.214
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.267
local terms energy: -103.254049
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -229.045226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.045226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045226 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -74.929
Base-Backbone interact. energy: -0.982
local terms energy: -86.051186
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -14.422
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: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -169.928070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.928070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.928070 (E_RNA)
where:
Base-Base interactions energy: -88.264
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.861
local terms energy: -80.802428
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -7.400
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: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -146.493533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.493533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.493533 (E_RNA)
where:
Base-Base interactions energy: -61.808
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.014
local terms energy: -84.671348
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -115.660454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.660454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.660454 (E_RNA)
where:
Base-Base interactions energy: -46.223
where: short stacking energy: -45.572
Base-Backbone interact. energy: -1.412
local terms energy: -68.026022
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: 4.619
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: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -382.323177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.323177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.323177 (E_RNA)
where:
Base-Base interactions energy: -258.257
where: short stacking energy: -127.397
Base-Backbone interact. energy: -1.151
local terms energy: -122.915134
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -33.268
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: 173
Temperature: 0.950000
Total energy: -363.680433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.680433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.680433 (E_RNA)
where:
Base-Base interactions energy: -250.292
where: short stacking energy: -116.227
Base-Backbone interact. energy: 1.954
local terms energy: -115.342721
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -24.427
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: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -348.493530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.493530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.493530 (E_RNA)
where:
Base-Base interactions energy: -228.593
where: short stacking energy: -123.069
Base-Backbone interact. energy: -1.322
local terms energy: -118.579362
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -306.507643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.507643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.507643 (E_RNA)
where:
Base-Base interactions energy: -204.335
where: short stacking energy: -95.211
Base-Backbone interact. energy: -1.298
local terms energy: -100.875030
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -271.594619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.594619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.594619 (E_RNA)
where:
Base-Base interactions energy: -178.170
where: short stacking energy: -106.451
Base-Backbone interact. energy: -0.124
local terms energy: -93.300296
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -261.868118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.868118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.868118 (E_RNA)
where:
Base-Base interactions energy: -170.501
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.146
local terms energy: -91.221663
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -16.181
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: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -225.090540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.090540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.090540 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -72.139
Base-Backbone interact. energy: 1.462
local terms energy: -86.197449
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -203.539897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.539897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.539897 (E_RNA)
where:
Base-Base interactions energy: -122.926
where: short stacking energy: -63.513
Base-Backbone interact. energy: 0.703
local terms energy: -81.316410
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -12.852
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: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -132.216325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.216325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.216325 (E_RNA)
where:
Base-Base interactions energy: -64.349
where: short stacking energy: -49.738
Base-Backbone interact. energy: 0.292
local terms energy: -68.159115
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: 2.398
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -111.689206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.689206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.689206 (E_RNA)
where:
Base-Base interactions energy: -49.342
where: short stacking energy: -41.027
Base-Backbone interact. energy: 0.514
local terms energy: -62.860987
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: 4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -401.008873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.008873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.008873 (E_RNA)
where:
Base-Base interactions energy: -277.686
where: short stacking energy: -137.117
Base-Backbone interact. energy: -0.053
local terms energy: -123.269397
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -33.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -354.733942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.733942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.733942 (E_RNA)
where:
Base-Base interactions energy: -241.208
where: short stacking energy: -114.607
Base-Backbone interact. energy: -0.315
local terms energy: -113.210445
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -311.049430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.049430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.049430 (E_RNA)
where:
Base-Base interactions energy: -202.280
where: short stacking energy: -106.972
Base-Backbone interact. energy: -0.909
local terms energy: -107.860169
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -23.140
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -319.855060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.855060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.855060 (E_RNA)
where:
Base-Base interactions energy: -212.387
where: short stacking energy: -104.863
Base-Backbone interact. energy: -1.134
local terms energy: -106.333945
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -30.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -268.773781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.773781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.773781 (E_RNA)
where:
Base-Base interactions energy: -172.603
where: short stacking energy: -93.753
Base-Backbone interact. energy: -0.072
local terms energy: -96.098407
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -246.996339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.996339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.996339 (E_RNA)
where:
Base-Base interactions energy: -153.193
where: short stacking energy: -85.548
Base-Backbone interact. energy: -0.245
local terms energy: -93.558875
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -211.612715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612715 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.044
local terms energy: -86.270981
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -226.144230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.144230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.144230 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.169
local terms energy: -81.245969
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -129.023564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.023564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.023564 (E_RNA)
where:
Base-Base interactions energy: -57.135
where: short stacking energy: -40.777
Base-Backbone interact. energy: -0.254
local terms energy: -71.635044
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -124.548750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.548750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.548750 (E_RNA)
where:
Base-Base interactions energy: -61.267
where: short stacking energy: -37.065
Base-Backbone interact. energy: -1.325
local terms energy: -61.956062
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: 10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -387.299888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.299888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.299888 (E_RNA)
where:
Base-Base interactions energy: -262.563
where: short stacking energy: -123.841
Base-Backbone interact. energy: -0.031
local terms energy: -124.706192
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -33.601
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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -345.471916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.471916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.471916 (E_RNA)
where:
Base-Base interactions energy: -241.014
where: short stacking energy: -109.504
Base-Backbone interact. energy: -0.366
local terms energy: -104.092034
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -300.557288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.557288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.557288 (E_RNA)
where:
Base-Base interactions energy: -199.329
where: short stacking energy: -102.180
Base-Backbone interact. energy: -0.428
local terms energy: -100.799564
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -311.432841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.432841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.432841 (E_RNA)
where:
Base-Base interactions energy: -199.749
where: short stacking energy: -103.885
Base-Backbone interact. energy: -1.110
local terms energy: -110.573727
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -276.194632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.194632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.194632 (E_RNA)
where:
Base-Base interactions energy: -180.476
where: short stacking energy: -96.014
Base-Backbone interact. energy: -0.675
local terms energy: -95.043893
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -27.161
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -252.077147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.077147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.077147 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -90.696
Base-Backbone interact. energy: -0.587
local terms energy: -91.773572
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -21.878
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -206.145550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.145550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.145550 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.252
local terms energy: -87.782905
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -198.573238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.573238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.573238 (E_RNA)
where:
Base-Base interactions energy: -114.047
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.172
local terms energy: -84.354843
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -120.316731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.316731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.316731 (E_RNA)
where:
Base-Base interactions energy: -48.467
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.598
local terms energy: -71.250831
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -9.951
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -124.792281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.792281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.792281 (E_RNA)
where:
Base-Base interactions energy: -51.475
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.797
local terms energy: -72.519687
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -388.078602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.078602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.078602 (E_RNA)
where:
Base-Base interactions energy: -261.291
where: short stacking energy: -129.943
Base-Backbone interact. energy: -0.312
local terms energy: -126.476190
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -352.745411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.745411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.745411 (E_RNA)
where:
Base-Base interactions energy: -246.844
where: short stacking energy: -107.572
Base-Backbone interact. energy: 0.726
local terms energy: -106.627279
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -331.114447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.114447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.114447 (E_RNA)
where:
Base-Base interactions energy: -217.927
where: short stacking energy: -111.412
Base-Backbone interact. energy: -1.610
local terms energy: -111.577479
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -289.564249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564249 (E_RNA)
where:
Base-Base interactions energy: -187.103
where: short stacking energy: -91.902
Base-Backbone interact. energy: -1.023
local terms energy: -101.439106
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -244.165592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.165592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.165592 (E_RNA)
where:
Base-Base interactions energy: -147.197
where: short stacking energy: -78.331
Base-Backbone interact. energy: -1.643
local terms energy: -95.326050
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -250.718587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.718587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.718587 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -83.600
Base-Backbone interact. energy: -1.499
local terms energy: -102.252346
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -200.881824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881824 (E_RNA)
where:
Base-Base interactions energy: -116.332
where: short stacking energy: -72.289
Base-Backbone interact. energy: -0.072
local terms energy: -84.478396
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -221.922890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.922890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.922890 (E_RNA)
where:
Base-Base interactions energy: -134.758
where: short stacking energy: -75.793
Base-Backbone interact. energy: 3.634
local terms energy: -90.798340
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -12.432
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: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -150.472766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.472766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.472766 (E_RNA)
where:
Base-Base interactions energy: -77.827
where: short stacking energy: -50.914
Base-Backbone interact. energy: -0.352
local terms energy: -72.293755
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -4.172
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: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -153.035451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.035451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.035451 (E_RNA)
where:
Base-Base interactions energy: -76.474
where: short stacking energy: -48.587
Base-Backbone interact. energy: 0.067
local terms energy: -76.629158
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -11.905
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: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -394.034958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.034958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.034958 (E_RNA)
where:
Base-Base interactions energy: -265.221
where: short stacking energy: -127.657
Base-Backbone interact. energy: -0.643
local terms energy: -128.171772
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -32.119
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: 177
Temperature: 0.950000
Total energy: -354.835803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.835803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.835803 (E_RNA)
where:
Base-Base interactions energy: -251.747
where: short stacking energy: -114.085
Base-Backbone interact. energy: 0.400
local terms energy: -103.488605
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -335.424588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.424588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.424588 (E_RNA)
where:
Base-Base interactions energy: -217.877
where: short stacking energy: -111.488
Base-Backbone interact. energy: -1.815
local terms energy: -115.732554
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -306.456723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.456723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.456723 (E_RNA)
where:
Base-Base interactions energy: -205.126
where: short stacking energy: -90.218
Base-Backbone interact. energy: -0.256
local terms energy: -101.073839
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -254.146608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.146608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.146608 (E_RNA)
where:
Base-Base interactions energy: -154.926
where: short stacking energy: -84.126
Base-Backbone interact. energy: 1.546
local terms energy: -100.766791
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -19.448
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -262.010202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.010202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.010202 (E_RNA)
where:
Base-Base interactions energy: -173.799
where: short stacking energy: -107.208
Base-Backbone interact. energy: 0.493
local terms energy: -88.704262
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -21.410
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: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -239.781407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.781407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781407 (E_RNA)
where:
Base-Base interactions energy: -140.565
where: short stacking energy: -87.867
Base-Backbone interact. energy: -0.103
local terms energy: -99.112712
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -202.981984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981984 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -75.009
Base-Backbone interact. energy: -0.053
local terms energy: -84.175984
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -15.043
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: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -159.018154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.018154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.018154 (E_RNA)
where:
Base-Base interactions energy: -82.566
where: short stacking energy: -50.747
Base-Backbone interact. energy: 0.927
local terms energy: -77.379430
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -120.231638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.231638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.231638 (E_RNA)
where:
Base-Base interactions energy: -35.367
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.252
local terms energy: -84.612416
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: 2.619
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: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -395.922827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.922827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.922827 (E_RNA)
where:
Base-Base interactions energy: -265.822
where: short stacking energy: -122.249
Base-Backbone interact. energy: -0.338
local terms energy: -129.762193
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -34.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -353.625350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.625350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.625350 (E_RNA)
where:
Base-Base interactions energy: -251.571
where: short stacking energy: -110.306
Base-Backbone interact. energy: -0.890
local terms energy: -101.164478
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -311.498416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.498416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.498416 (E_RNA)
where:
Base-Base interactions energy: -199.729
where: short stacking energy: -100.893
Base-Backbone interact. energy: -0.233
local terms energy: -111.536095
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -28.301
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: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -315.978833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.978833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.978833 (E_RNA)
where:
Base-Base interactions energy: -210.646
where: short stacking energy: -108.382
Base-Backbone interact. energy: -0.147
local terms energy: -105.185903
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -26.286
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: 178
Temperature: 1.100000
Total energy: -300.010207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.010207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.010207 (E_RNA)
where:
Base-Base interactions energy: -182.996
where: short stacking energy: -109.475
Base-Backbone interact. energy: -1.993
local terms energy: -115.021219
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -32.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -240.063916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.063916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.063916 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.294
local terms energy: -93.430955
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -216.660412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.660412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660412 (E_RNA)
where:
Base-Base interactions energy: -129.112
where: short stacking energy: -80.283
Base-Backbone interact. energy: 0.973
local terms energy: -88.521675
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -212.192540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.192540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.192540 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -67.386
Base-Backbone interact. energy: 0.027
local terms energy: -80.678419
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -178.580434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.580434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.580434 (E_RNA)
where:
Base-Base interactions energy: -87.405
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.150
local terms energy: -91.025702
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -117.101571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.101571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.101571 (E_RNA)
where:
Base-Base interactions energy: -54.420
where: short stacking energy: -52.943
Base-Backbone interact. energy: 1.631
local terms energy: -64.312114
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -395.122218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.122218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.122218 (E_RNA)
where:
Base-Base interactions energy: -264.588
where: short stacking energy: -132.749
Base-Backbone interact. energy: -0.549
local terms energy: -129.984980
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -36.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -347.414077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.414077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.414077 (E_RNA)
where:
Base-Base interactions energy: -235.017
where: short stacking energy: -105.333
Base-Backbone interact. energy: -0.786
local terms energy: -111.611141
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -310.989416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.989416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.989416 (E_RNA)
where:
Base-Base interactions energy: -197.687
where: short stacking energy: -104.500
Base-Backbone interact. energy: -0.274
local terms energy: -113.028295
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -291.185190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.185190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.185190 (E_RNA)
where:
Base-Base interactions energy: -190.194
where: short stacking energy: -112.032
Base-Backbone interact. energy: -0.146
local terms energy: -100.844655
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -29.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -303.957044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.957044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.957044 (E_RNA)
where:
Base-Base interactions energy: -205.342
where: short stacking energy: -98.615
Base-Backbone interact. energy: -1.693
local terms energy: -96.921869
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -236.171631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.171631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.171631 (E_RNA)
where:
Base-Base interactions energy: -139.314
where: short stacking energy: -95.709
Base-Backbone interact. energy: -0.002
local terms energy: -96.855623
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -23.912
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: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -206.615271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.615271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.615271 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -81.531
Base-Backbone interact. energy: -0.894
local terms energy: -86.122205
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -212.609792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609792 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.278
local terms energy: -90.598496
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -144.661630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.661630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.661630 (E_RNA)
where:
Base-Base interactions energy: -68.511
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.579
local terms energy: -75.571244
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -4.112
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: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -126.921621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.921621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.921621 (E_RNA)
where:
Base-Base interactions energy: -70.811
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.714
local terms energy: -55.397085
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -4.688
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -2.256
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: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -384.842582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.842582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.842582 (E_RNA)
where:
Base-Base interactions energy: -254.824
where: short stacking energy: -127.246
Base-Backbone interact. energy: -0.310
local terms energy: -129.708243
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: -33.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -347.847172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.847172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.847172 (E_RNA)
where:
Base-Base interactions energy: -240.509
where: short stacking energy: -109.279
Base-Backbone interact. energy: -0.328
local terms energy: -107.010643
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -298.235231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.235231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.235231 (E_RNA)
where:
Base-Base interactions energy: -184.363
where: short stacking energy: -122.150
Base-Backbone interact. energy: 0.266
local terms energy: -114.138889
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -31.808
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: 180
Temperature: 1.050000
Total energy: -323.596359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.596359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.596359 (E_RNA)
where:
Base-Base interactions energy: -214.203
where: short stacking energy: -109.157
Base-Backbone interact. energy: -1.312
local terms energy: -108.081337
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -313.423584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.423584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.423584 (E_RNA)
where:
Base-Base interactions energy: -206.424
where: short stacking energy: -100.465
Base-Backbone interact. energy: -0.250
local terms energy: -106.749640
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -224.695388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.695388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.695388 (E_RNA)
where:
Base-Base interactions energy: -134.931
where: short stacking energy: -89.501
Base-Backbone interact. energy: -0.224
local terms energy: -89.540584
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -215.556045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.556045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.556045 (E_RNA)
where:
Base-Base interactions energy: -127.349
where: short stacking energy: -81.668
Base-Backbone interact. energy: -1.128
local terms energy: -87.078318
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -220.857749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.857749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.857749 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -76.550
Base-Backbone interact. energy: -1.220
local terms energy: -84.466980
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -130.540423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.540423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.540423 (E_RNA)
where:
Base-Base interactions energy: -62.406
where: short stacking energy: -42.441
Base-Backbone interact. energy: 0.180
local terms energy: -68.314073
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -137.281241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.281241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.281241 (E_RNA)
where:
Base-Base interactions energy: -63.523
where: short stacking energy: -61.451
Base-Backbone interact. energy: 1.318
local terms energy: -75.076132
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -389.214577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.214577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.214577 (E_RNA)
where:
Base-Base interactions energy: -264.463
where: short stacking energy: -134.710
Base-Backbone interact. energy: -0.076
local terms energy: -124.675941
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -359.707024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.707024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.707024 (E_RNA)
where:
Base-Base interactions energy: -252.025
where: short stacking energy: -118.967
Base-Backbone interact. energy: -0.391
local terms energy: -107.291190
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -27.675
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -279.787432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.787432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.787432 (E_RNA)
where:
Base-Base interactions energy: -174.971
where: short stacking energy: -90.048
Base-Backbone interact. energy: -0.751
local terms energy: -104.065293
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -322.361118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.361118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.361118 (E_RNA)
where:
Base-Base interactions energy: -201.040
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.470
local terms energy: -120.851546
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -28.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -294.676847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.676847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.676847 (E_RNA)
where:
Base-Base interactions energy: -195.487
where: short stacking energy: -93.530
Base-Backbone interact. energy: 0.461
local terms energy: -99.650920
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -241.331787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.331787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.331787 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -88.062
Base-Backbone interact. energy: -1.562
local terms energy: -106.197103
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -210.999560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.999560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.999560 (E_RNA)
where:
Base-Base interactions energy: -123.950
where: short stacking energy: -73.203
Base-Backbone interact. energy: 0.443
local terms energy: -87.492490
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -11.379
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -219.834374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834374 (E_RNA)
where:
Base-Base interactions energy: -132.079
where: short stacking energy: -76.658
Base-Backbone interact. energy: -0.176
local terms energy: -87.579147
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -19.360
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: 181
Temperature: 1.300000
Total energy: -172.836359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.836359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.836359 (E_RNA)
where:
Base-Base interactions energy: -101.757
where: short stacking energy: -52.716
Base-Backbone interact. energy: 0.539
local terms energy: -71.618937
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -5.284
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: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -125.866384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.866384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.866384 (E_RNA)
where:
Base-Base interactions energy: -63.920
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.947
local terms energy: -60.999618
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -358.326643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.326643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.326643 (E_RNA)
where:
Base-Base interactions energy: -242.814
where: short stacking energy: -113.987
Base-Backbone interact. energy: 1.729
local terms energy: -117.242114
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -373.377712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.377712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.377712 (E_RNA)
where:
Base-Base interactions energy: -253.671
where: short stacking energy: -122.019
Base-Backbone interact. energy: -0.102
local terms energy: -119.604507
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -333.217184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.217184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.217184 (E_RNA)
where:
Base-Base interactions energy: -220.271
where: short stacking energy: -111.282
Base-Backbone interact. energy: 0.144
local terms energy: -113.090073
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -27.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -276.291567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.291567 (E_RNA)
where:
Base-Base interactions energy: -177.390
where: short stacking energy: -96.789
Base-Backbone interact. energy: -0.420
local terms energy: -98.481621
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -280.302250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.302250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.302250 (E_RNA)
where:
Base-Base interactions energy: -176.106
where: short stacking energy: -100.348
Base-Backbone interact. energy: -1.867
local terms energy: -102.328852
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -25.248
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: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -212.455625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.455625 (E_RNA)
where:
Base-Base interactions energy: -131.573
where: short stacking energy: -82.809
Base-Backbone interact. energy: 2.289
local terms energy: -83.171326
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -232.894297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.894297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.894297 (E_RNA)
where:
Base-Base interactions energy: -148.674
where: short stacking energy: -85.457
Base-Backbone interact. energy: -1.376
local terms energy: -82.844742
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -212.783161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.783161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.783161 (E_RNA)
where:
Base-Base interactions energy: -129.246
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.634
local terms energy: -82.902832
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -121.193672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.193672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.193672 (E_RNA)
where:
Base-Base interactions energy: -55.292
where: short stacking energy: -52.338
Base-Backbone interact. energy: -0.302
local terms energy: -65.599902
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -14.296
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: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -123.227614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.227614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.227614 (E_RNA)
where:
Base-Base interactions energy: -42.909
where: short stacking energy: -41.763
Base-Backbone interact. energy: 3.352
local terms energy: -83.670327
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -356.572778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.572778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.572778 (E_RNA)
where:
Base-Base interactions energy: -242.224
where: short stacking energy: -116.580
Base-Backbone interact. energy: -0.779
local terms energy: -113.569229
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -24.373
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -375.574113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.574113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.574113 (E_RNA)
where:
Base-Base interactions energy: -251.034
where: short stacking energy: -132.305
Base-Backbone interact. energy: -0.149
local terms energy: -124.391383
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -35.618
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -328.780272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.780272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.780272 (E_RNA)
where:
Base-Base interactions energy: -221.048
where: short stacking energy: -110.144
Base-Backbone interact. energy: -1.571
local terms energy: -106.161413
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -315.957085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.957085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.957085 (E_RNA)
where:
Base-Base interactions energy: -205.805
where: short stacking energy: -113.155
Base-Backbone interact. energy: -0.280
local terms energy: -109.872283
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -27.550
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: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -250.111057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.111057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.111057 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -73.626
Base-Backbone interact. energy: -0.370
local terms energy: -98.744432
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -12.664
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: 183
Temperature: 1.150000
Total energy: -243.697069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.697069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.697069 (E_RNA)
where:
Base-Base interactions energy: -148.966
where: short stacking energy: -90.775
Base-Backbone interact. energy: -0.294
local terms energy: -94.436519
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -186.280894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.280894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.280894 (E_RNA)
where:
Base-Base interactions energy: -103.772
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.996
local terms energy: -81.513338
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -225.752523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.752523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.752523 (E_RNA)
where:
Base-Base interactions energy: -125.660
where: short stacking energy: -74.799
Base-Backbone interact. energy: -0.152
local terms energy: -99.940664
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -145.161392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.161392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.161392 (E_RNA)
where:
Base-Base interactions energy: -65.827
where: short stacking energy: -47.512
Base-Backbone interact. energy: -1.394
local terms energy: -77.940241
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -1.914
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: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -143.760998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.760998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.760998 (E_RNA)
where:
Base-Base interactions energy: -66.031
where: short stacking energy: -63.441
Base-Backbone interact. energy: 0.318
local terms energy: -78.047889
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -353.596967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.596967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.596967 (E_RNA)
where:
Base-Base interactions energy: -235.032
where: short stacking energy: -113.747
Base-Backbone interact. energy: 1.133
local terms energy: -119.697866
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -388.709765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.709765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.709765 (E_RNA)
where:
Base-Base interactions energy: -260.030
where: short stacking energy: -127.621
Base-Backbone interact. energy: -0.415
local terms energy: -128.265587
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -330.702378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.702378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.702378 (E_RNA)
where:
Base-Base interactions energy: -219.812
where: short stacking energy: -108.459
Base-Backbone interact. energy: -1.047
local terms energy: -109.842896
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -24.885
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: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -316.360300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.360300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.360300 (E_RNA)
where:
Base-Base interactions energy: -222.525
where: short stacking energy: -113.908
Base-Backbone interact. energy: -0.747
local terms energy: -93.087512
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -26.030
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -233.207417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.207417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.207417 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -87.359
Base-Backbone interact. energy: -0.754
local terms energy: -95.857269
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -229.064965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.064965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.064965 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.556
local terms energy: -96.625174
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -223.527666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.527666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.527666 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -91.240
Base-Backbone interact. energy: 0.333
local terms energy: -85.294478
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -182.477575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.477575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.477575 (E_RNA)
where:
Base-Base interactions energy: -120.627
where: short stacking energy: -53.045
Base-Backbone interact. energy: 0.167
local terms energy: -62.016781
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: 2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -154.816816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.816816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.816816 (E_RNA)
where:
Base-Base interactions energy: -73.226
where: short stacking energy: -49.173
Base-Backbone interact. energy: -1.037
local terms energy: -80.553232
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -133.068555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.068555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.068555 (E_RNA)
where:
Base-Base interactions energy: -60.243
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.669
local terms energy: -72.156871
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -356.631931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.631931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.631931 (E_RNA)
where:
Base-Base interactions energy: -244.465
where: short stacking energy: -113.058
Base-Backbone interact. energy: -0.911
local terms energy: -111.255198
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -24.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -383.877088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.877088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.877088 (E_RNA)
where:
Base-Base interactions energy: -256.004
where: short stacking energy: -125.845
Base-Backbone interact. energy: -0.009
local terms energy: -127.863857
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -319.480149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.480149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.480149 (E_RNA)
where:
Base-Base interactions energy: -206.033
where: short stacking energy: -114.133
Base-Backbone interact. energy: 0.085
local terms energy: -113.532277
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -30.764
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: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -322.731251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.731251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.731251 (E_RNA)
where:
Base-Base interactions energy: -211.132
where: short stacking energy: -98.972
Base-Backbone interact. energy: -0.305
local terms energy: -111.294575
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -24.776
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: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -235.259429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.259429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.259429 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -81.884
Base-Backbone interact. energy: -0.867
local terms energy: -94.245178
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -11.205
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: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -220.283899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.283899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.283899 (E_RNA)
where:
Base-Base interactions energy: -122.394
where: short stacking energy: -76.774
Base-Backbone interact. energy: 0.130
local terms energy: -98.019909
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -219.147090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.147090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.147090 (E_RNA)
where:
Base-Base interactions energy: -126.314
where: short stacking energy: -79.641
Base-Backbone interact. energy: 0.313
local terms energy: -93.146031
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -14.727
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: 185
Temperature: 1.250000
Total energy: -219.609365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609365 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -80.295
Base-Backbone interact. energy: -0.706
local terms energy: -77.280080
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -127.799781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.799781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.799781 (E_RNA)
where:
Base-Base interactions energy: -63.838
where: short stacking energy: -53.261
Base-Backbone interact. energy: 0.851
local terms energy: -64.812324
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -169.158043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.158043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.158043 (E_RNA)
where:
Base-Base interactions energy: -85.199
where: short stacking energy: -59.093
Base-Backbone interact. energy: 0.511
local terms energy: -84.470753
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -386.785562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.785562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.785562 (E_RNA)
where:
Base-Base interactions energy: -259.524
where: short stacking energy: -123.763
Base-Backbone interact. energy: -0.115
local terms energy: -127.146525
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -34.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -345.108592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.108592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.108592 (E_RNA)
where:
Base-Base interactions energy: -223.865
where: short stacking energy: -114.311
Base-Backbone interact. energy: -0.205
local terms energy: -121.039379
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -320.825266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.825266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.825266 (E_RNA)
where:
Base-Base interactions energy: -207.406
where: short stacking energy: -107.170
Base-Backbone interact. energy: 0.134
local terms energy: -113.553164
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -29.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -324.231407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.231407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.231407 (E_RNA)
where:
Base-Base interactions energy: -218.359
where: short stacking energy: -106.317
Base-Backbone interact. energy: -0.005
local terms energy: -105.867122
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -24.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -256.515374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.515374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.515374 (E_RNA)
where:
Base-Base interactions energy: -154.749
where: short stacking energy: -103.124
Base-Backbone interact. energy: -0.964
local terms energy: -100.801703
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -20.534
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -223.443660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.443660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.443660 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.338
local terms energy: -85.147067
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -250.925375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.925375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.925375 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -93.564
Base-Backbone interact. energy: -0.380
local terms energy: -105.245505
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -21.536
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: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -178.872748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.872748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.872748 (E_RNA)
where:
Base-Base interactions energy: -109.277
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.866
local terms energy: -68.729309
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -158.203744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.203744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.203744 (E_RNA)
where:
Base-Base interactions energy: -86.951
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.378
local terms energy: -70.874128
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -7.126
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: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -136.232640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.232640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.232640 (E_RNA)
where:
Base-Base interactions energy: -60.060
where: short stacking energy: -48.116
Base-Backbone interact. energy: -0.343
local terms energy: -75.830067
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.323
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: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -380.875468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.875468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.875468 (E_RNA)
where:
Base-Base interactions energy: -256.721
where: short stacking energy: -123.232
Base-Backbone interact. energy: -0.270
local terms energy: -123.884165
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -35.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -340.577063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.577063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.577063 (E_RNA)
where:
Base-Base interactions energy: -230.998
where: short stacking energy: -104.054
Base-Backbone interact. energy: 0.095
local terms energy: -109.673885
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -25.569
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: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -321.042405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.042405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.042405 (E_RNA)
where:
Base-Base interactions energy: -209.167
where: short stacking energy: -104.719
Base-Backbone interact. energy: -0.512
local terms energy: -111.363361
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -29.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -324.440807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.440807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.440807 (E_RNA)
where:
Base-Base interactions energy: -222.134
where: short stacking energy: -110.483
Base-Backbone interact. energy: -0.051
local terms energy: -102.255929
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -32.725
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -249.643426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.643426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.643426 (E_RNA)
where:
Base-Base interactions energy: -140.139
where: short stacking energy: -78.897
Base-Backbone interact. energy: -0.127
local terms energy: -109.377958
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -17.988
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: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -246.884238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.884238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.884238 (E_RNA)
where:
Base-Base interactions energy: -157.610
where: short stacking energy: -93.394
Base-Backbone interact. energy: -0.540
local terms energy: -88.734325
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -14.076
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -238.961285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.961285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.961285 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -77.367
Base-Backbone interact. energy: -0.819
local terms energy: -95.967522
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -192.855710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.855710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.855710 (E_RNA)
where:
Base-Base interactions energy: -118.256
where: short stacking energy: -84.643
Base-Backbone interact. energy: -0.096
local terms energy: -74.503342
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -137.377077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.377077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.377077 (E_RNA)
where:
Base-Base interactions energy: -61.103
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.207
local terms energy: -76.067104
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -14.618
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: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -121.433052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.433052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.433052 (E_RNA)
where:
Base-Base interactions energy: -57.107
where: short stacking energy: -53.609
Base-Backbone interact. energy: 0.350
local terms energy: -64.675718
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -375.684042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.684042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.684042 (E_RNA)
where:
Base-Base interactions energy: -250.396
where: short stacking energy: -120.812
Base-Backbone interact. energy: -0.789
local terms energy: -124.498311
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -32.583
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -340.125442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.125442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.125442 (E_RNA)
where:
Base-Base interactions energy: -229.411
where: short stacking energy: -109.607
Base-Backbone interact. energy: -0.821
local terms energy: -109.893368
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -23.504
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: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -333.618157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.618157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.618157 (E_RNA)
where:
Base-Base interactions energy: -220.916
where: short stacking energy: -123.281
Base-Backbone interact. energy: -0.171
local terms energy: -112.531037
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -318.520807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.520807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.520807 (E_RNA)
where:
Base-Base interactions energy: -211.166
where: short stacking energy: -106.680
Base-Backbone interact. energy: 0.191
local terms energy: -107.546388
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -255.742820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.742820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.742820 (E_RNA)
where:
Base-Base interactions energy: -153.482
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.257
local terms energy: -102.003376
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -236.421815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.421815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.421815 (E_RNA)
where:
Base-Base interactions energy: -148.118
where: short stacking energy: -79.912
Base-Backbone interact. energy: -0.119
local terms energy: -88.184866
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -243.500542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.500542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.500542 (E_RNA)
where:
Base-Base interactions energy: -148.484
where: short stacking energy: -83.432
Base-Backbone interact. energy: 0.230
local terms energy: -95.246826
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -199.239252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.239252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.239252 (E_RNA)
where:
Base-Base interactions energy: -115.205
where: short stacking energy: -59.660
Base-Backbone interact. energy: -1.096
local terms energy: -82.938239
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -8.293
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: 188
Temperature: 1.300000
Total energy: -139.925965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.925965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.925965 (E_RNA)
where:
Base-Base interactions energy: -67.351
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.589
local terms energy: -71.985804
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -132.444901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.444901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.444901 (E_RNA)
where:
Base-Base interactions energy: -55.864
where: short stacking energy: -55.873
Base-Backbone interact. energy: 3.944
local terms energy: -80.525065
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -379.306598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.306598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.306598 (E_RNA)
where:
Base-Base interactions energy: -255.755
where: short stacking energy: -130.304
Base-Backbone interact. energy: 1.622
local terms energy: -125.173447
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -31.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -336.230319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.230319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.230319 (E_RNA)
where:
Base-Base interactions energy: -217.303
where: short stacking energy: -96.877
Base-Backbone interact. energy: -1.015
local terms energy: -117.912753
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -330.820146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.820146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.820146 (E_RNA)
where:
Base-Base interactions energy: -219.695
where: short stacking energy: -109.919
Base-Backbone interact. energy: -0.640
local terms energy: -110.484750
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -26.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -320.050566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.050566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.050566 (E_RNA)
where:
Base-Base interactions energy: -199.825
where: short stacking energy: -102.621
Base-Backbone interact. energy: 0.246
local terms energy: -120.471422
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -258.824698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.824698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.824698 (E_RNA)
where:
Base-Base interactions energy: -166.186
where: short stacking energy: -100.704
Base-Backbone interact. energy: -0.249
local terms energy: -92.389271
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -265.001106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.001106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.001106 (E_RNA)
where:
Base-Base interactions energy: -161.522
where: short stacking energy: -83.221
Base-Backbone interact. energy: -0.407
local terms energy: -103.071825
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -241.790107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790107 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -81.839
Base-Backbone interact. energy: 0.792
local terms energy: -89.827837
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -13.766
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: 189
Temperature: 1.250000
Total energy: -156.838786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.838786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.838786 (E_RNA)
where:
Base-Base interactions energy: -70.862
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.008
local terms energy: -85.968864
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -15.228
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: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -192.187283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187283 (E_RNA)
where:
Base-Base interactions energy: -116.940
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.613
local terms energy: -74.633549
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -127.966521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.966521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.966521 (E_RNA)
where:
Base-Base interactions energy: -46.503
where: short stacking energy: -46.503
Base-Backbone interact. energy: -0.371
local terms energy: -81.092248
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -373.669563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.669563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.669563 (E_RNA)
where:
Base-Base interactions energy: -255.972
where: short stacking energy: -136.205
Base-Backbone interact. energy: 0.621
local terms energy: -118.318587
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -32.905
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -356.473182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.473182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.473182 (E_RNA)
where:
Base-Base interactions energy: -244.653
where: short stacking energy: -109.308
Base-Backbone interact. energy: -0.956
local terms energy: -110.864751
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -326.036674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.036674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.036674 (E_RNA)
where:
Base-Base interactions energy: -212.893
where: short stacking energy: -115.191
Base-Backbone interact. energy: 0.053
local terms energy: -113.196234
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -28.926
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: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -318.970670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.970670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.970670 (E_RNA)
where:
Base-Base interactions energy: -212.442
where: short stacking energy: -102.420
Base-Backbone interact. energy: 0.029
local terms energy: -106.558032
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -22.951
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: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -246.934437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.934437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.934437 (E_RNA)
where:
Base-Base interactions energy: -142.426
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.550
local terms energy: -103.958241
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -260.476742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.476742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.476742 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.166
local terms energy: -93.593869
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.976
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: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -165.005964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.005964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.005964 (E_RNA)
where:
Base-Base interactions energy: -76.119
where: short stacking energy: -76.119
Base-Backbone interact. energy: 0.300
local terms energy: -89.186735
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -218.166412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.166412 (E_RNA)
where:
Base-Base interactions energy: -117.557
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.134
local terms energy: -100.474869
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -201.012006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.012006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.012006 (E_RNA)
where:
Base-Base interactions energy: -127.186
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.604
local terms energy: -73.222421
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -15.280
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -117.206294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.206294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.206294 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -51.096
Base-Backbone interact. energy: 0.151
local terms energy: -66.260910
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -363.270371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.270371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.270371 (E_RNA)
where:
Base-Base interactions energy: -241.129
where: short stacking energy: -119.847
Base-Backbone interact. energy: -2.141
local terms energy: -120.000680
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -341.461721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.461721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.461721 (E_RNA)
where:
Base-Base interactions energy: -235.550
where: short stacking energy: -98.530
Base-Backbone interact. energy: -0.404
local terms energy: -105.507942
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -318.152821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.152821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.152821 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -92.459
Base-Backbone interact. energy: -0.513
local terms energy: -112.927157
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -326.498837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.498837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.498837 (E_RNA)
where:
Base-Base interactions energy: -216.631
where: short stacking energy: -106.491
Base-Backbone interact. energy: -0.235
local terms energy: -109.633215
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -27.264
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -269.460065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.460065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.460065 (E_RNA)
where:
Base-Base interactions energy: -173.514
where: short stacking energy: -106.591
Base-Backbone interact. energy: -0.189
local terms energy: -95.756487
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -21.615
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -237.466586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.466586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.466586 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -79.591
Base-Backbone interact. energy: -0.892
local terms energy: -101.382422
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -145.724788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.724788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.724788 (E_RNA)
where:
Base-Base interactions energy: -65.176
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.363
local terms energy: -80.186410
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -208.823167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823167 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.889
local terms energy: -88.779272
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -181.614621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.614621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.614621 (E_RNA)
where:
Base-Base interactions energy: -94.034
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.808
local terms energy: -86.772308
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -0.204
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -142.276893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.276893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.276893 (E_RNA)
where:
Base-Base interactions energy: -59.802
where: short stacking energy: -56.260
Base-Backbone interact. energy: -0.210
local terms energy: -82.265084
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -366.554744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.554744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.554744 (E_RNA)
where:
Base-Base interactions energy: -235.870
where: short stacking energy: -127.923
Base-Backbone interact. energy: -0.123
local terms energy: -130.561394
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -341.583251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.583251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.583251 (E_RNA)
where:
Base-Base interactions energy: -230.122
where: short stacking energy: -108.876
Base-Backbone interact. energy: 0.113
local terms energy: -111.574247
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -28.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -339.366389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.366389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.366389 (E_RNA)
where:
Base-Base interactions energy: -222.196
where: short stacking energy: -112.186
Base-Backbone interact. energy: -0.497
local terms energy: -116.673094
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -28.322
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: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -296.815554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.815554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.815554 (E_RNA)
where:
Base-Base interactions energy: -190.114
where: short stacking energy: -103.138
Base-Backbone interact. energy: -0.307
local terms energy: -106.394492
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -25.788
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -263.871054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.871054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.871054 (E_RNA)
where:
Base-Base interactions energy: -154.685
where: short stacking energy: -89.508
Base-Backbone interact. energy: 0.903
local terms energy: -110.088755
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -24.332
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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -248.452023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.452023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.452023 (E_RNA)
where:
Base-Base interactions energy: -152.613
where: short stacking energy: -89.795
Base-Backbone interact. energy: -0.543
local terms energy: -95.295575
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -233.785121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.785121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.785121 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.167
local terms energy: -88.780728
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -13.036
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: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -155.013058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.013058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.013058 (E_RNA)
where:
Base-Base interactions energy: -86.930
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.437
local terms energy: -67.646127
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -1.917
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: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -140.495211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.495211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.495211 (E_RNA)
where:
Base-Base interactions energy: -56.209
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.302
local terms energy: -83.984297
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -193.457469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457469 (E_RNA)
where:
Base-Base interactions energy: -124.102
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.323
local terms energy: -69.032166
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -353.013094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.013094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.013094 (E_RNA)
where:
Base-Base interactions energy: -234.124
where: short stacking energy: -117.222
Base-Backbone interact. energy: -0.090
local terms energy: -118.798886
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -29.742
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: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -323.223367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.223367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.223367 (E_RNA)
where:
Base-Base interactions energy: -211.035
where: short stacking energy: -91.391
Base-Backbone interact. energy: -0.766
local terms energy: -111.422988
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -350.371348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.371348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.371348 (E_RNA)
where:
Base-Base interactions energy: -238.773
where: short stacking energy: -114.210
Base-Backbone interact. energy: -1.396
local terms energy: -110.201766
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -23.756
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: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -303.300444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.300444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.300444 (E_RNA)
where:
Base-Base interactions energy: -200.709
where: short stacking energy: -93.442
Base-Backbone interact. energy: -0.063
local terms energy: -102.528106
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -258.823793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.823793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.823793 (E_RNA)
where:
Base-Base interactions energy: -160.605
where: short stacking energy: -103.268
Base-Backbone interact. energy: -0.292
local terms energy: -97.926539
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -19.319
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: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -246.537627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.537627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.537627 (E_RNA)
where:
Base-Base interactions energy: -142.977
where: short stacking energy: -87.848
Base-Backbone interact. energy: -0.186
local terms energy: -103.375008
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -18.486
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: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -237.823562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.823562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.823562 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.769
local terms energy: -92.161590
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -11.124
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: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -173.453292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.453292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.453292 (E_RNA)
where:
Base-Base interactions energy: -83.252
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.371
local terms energy: -89.830639
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -142.438110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.438110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.438110 (E_RNA)
where:
Base-Base interactions energy: -63.272
where: short stacking energy: -40.353
Base-Backbone interact. energy: 0.693
local terms energy: -79.859602
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -5.837
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: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -190.563870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.563870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.563870 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.334
local terms energy: -81.659607
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -356.435623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.435623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.435623 (E_RNA)
where:
Base-Base interactions energy: -238.248
where: short stacking energy: -134.102
Base-Backbone interact. energy: -0.058
local terms energy: -118.129222
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -327.804144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.804144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.804144 (E_RNA)
where:
Base-Base interactions energy: -214.349
where: short stacking energy: -101.956
Base-Backbone interact. energy: -0.898
local terms energy: -112.557030
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -20.413
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -344.041742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.041742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.041742 (E_RNA)
where:
Base-Base interactions energy: -227.609
where: short stacking energy: -104.077
Base-Backbone interact. energy: -0.557
local terms energy: -115.875272
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -23.056
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: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -287.912009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.912009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.912009 (E_RNA)
where:
Base-Base interactions energy: -186.076
where: short stacking energy: -93.193
Base-Backbone interact. energy: -0.767
local terms energy: -101.068832
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -276.286523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.286523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.286523 (E_RNA)
where:
Base-Base interactions energy: -172.072
where: short stacking energy: -91.930
Base-Backbone interact. energy: -0.183
local terms energy: -104.031599
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -19.271
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: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -241.844129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.844129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.844129 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.077
local terms energy: -99.246577
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -184.228763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.228763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.228763 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -62.136
Base-Backbone interact. energy: -0.447
local terms energy: -77.035145
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -203.876930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.876930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.876930 (E_RNA)
where:
Base-Base interactions energy: -119.305
where: short stacking energy: -69.089
Base-Backbone interact. energy: -0.462
local terms energy: -84.110263
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -9.858
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: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -193.887848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.887848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.887848 (E_RNA)
where:
Base-Base interactions energy: -111.085
where: short stacking energy: -56.581
Base-Backbone interact. energy: -1.618
local terms energy: -81.184210
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -6.412
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: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -119.285791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.285791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.285791 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.523
local terms energy: -80.361482
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -11.800
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -348.800110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.800110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.800110 (E_RNA)
where:
Base-Base interactions energy: -227.024
where: short stacking energy: -124.297
Base-Backbone interact. energy: -0.025
local terms energy: -121.750471
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -31.890
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: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -356.206627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.206627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.206627 (E_RNA)
where:
Base-Base interactions energy: -237.549
where: short stacking energy: -109.750
Base-Backbone interact. energy: 2.543
local terms energy: -121.200693
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -27.319
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: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -306.348010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.348010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.348010 (E_RNA)
where:
Base-Base interactions energy: -211.363
where: short stacking energy: -92.576
Base-Backbone interact. energy: -0.594
local terms energy: -94.390962
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -286.290690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.290690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.290690 (E_RNA)
where:
Base-Base interactions energy: -184.122
where: short stacking energy: -106.130
Base-Backbone interact. energy: 0.301
local terms energy: -102.469435
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -300.189754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.189754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.189754 (E_RNA)
where:
Base-Base interactions energy: -195.967
where: short stacking energy: -78.897
Base-Backbone interact. energy: -0.223
local terms energy: -103.999556
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -16.820
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: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -237.714240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.714240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.714240 (E_RNA)
where:
Base-Base interactions energy: -137.875
where: short stacking energy: -89.448
Base-Backbone interact. energy: -0.094
local terms energy: -99.744826
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -188.879948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.879948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.879948 (E_RNA)
where:
Base-Base interactions energy: -98.650
where: short stacking energy: -59.170
Base-Backbone interact. energy: -1.303
local terms energy: -88.926880
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -215.244449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.244449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.244449 (E_RNA)
where:
Base-Base interactions energy: -123.834
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.105
local terms energy: -91.305686
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -197.439703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.439703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.439703 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.725
local terms energy: -77.182946
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -132.268668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.268668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.268668 (E_RNA)
where:
Base-Base interactions energy: -60.803
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.783
local terms energy: -70.682994
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -4.423
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: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -356.959803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.959803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.959803 (E_RNA)
where:
Base-Base interactions energy: -250.725
where: short stacking energy: -107.492
Base-Backbone interact. energy: -1.236
local terms energy: -104.999046
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -25.528
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: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -334.952477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.952477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.952477 (E_RNA)
where:
Base-Base interactions energy: -217.032
where: short stacking energy: -113.637
Base-Backbone interact. energy: -0.462
local terms energy: -117.458119
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -302.351584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.351584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.351584 (E_RNA)
where:
Base-Base interactions energy: -194.708
where: short stacking energy: -98.292
Base-Backbone interact. energy: -0.658
local terms energy: -106.986356
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -296.196216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.196216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.196216 (E_RNA)
where:
Base-Base interactions energy: -193.597
where: short stacking energy: -88.113
Base-Backbone interact. energy: -0.356
local terms energy: -102.243013
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -287.038865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.038865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.038865 (E_RNA)
where:
Base-Base interactions energy: -187.367
where: short stacking energy: -88.322
Base-Backbone interact. energy: -0.664
local terms energy: -99.008021
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -26.858
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: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -227.535570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.535570 (E_RNA)
where:
Base-Base interactions energy: -143.183
where: short stacking energy: -85.808
Base-Backbone interact. energy: -0.489
local terms energy: -83.863254
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -208.679532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679532 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.696
local terms energy: -93.358670
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -192.138038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.138038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.138038 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.717
local terms energy: -81.394103
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.178
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: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -134.827849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.827849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.827849 (E_RNA)
where:
Base-Base interactions energy: -63.162
where: short stacking energy: -56.675
Base-Backbone interact. energy: -0.290
local terms energy: -71.375979
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -13.125
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: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -177.519607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.519607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.519607 (E_RNA)
where:
Base-Base interactions energy: -97.495
where: short stacking energy: -55.448
Base-Backbone interact. energy: 2.527
local terms energy: -82.552015
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -360.402424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.402424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.402424 (E_RNA)
where:
Base-Base interactions energy: -255.357
where: short stacking energy: -112.604
Base-Backbone interact. energy: -0.319
local terms energy: -104.727271
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -24.783
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: 197
Temperature: 0.950000
Total energy: -313.763138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.763138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.763138 (E_RNA)
where:
Base-Base interactions energy: -194.575
where: short stacking energy: -106.971
Base-Backbone interact. energy: -0.944
local terms energy: -118.243809
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -326.419777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.419777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.419777 (E_RNA)
where:
Base-Base interactions energy: -209.483
where: short stacking energy: -110.735
Base-Backbone interact. energy: -0.307
local terms energy: -116.630121
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -291.482234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.482234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.482234 (E_RNA)
where:
Base-Base interactions energy: -189.712
where: short stacking energy: -91.031
Base-Backbone interact. energy: -0.686
local terms energy: -101.083780
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -17.350
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: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -249.681688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.681688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.681688 (E_RNA)
where:
Base-Base interactions energy: -158.974
where: short stacking energy: -75.484
Base-Backbone interact. energy: -0.361
local terms energy: -90.346693
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -11.749
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: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -223.576530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.576530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.576530 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.219
local terms energy: -89.880699
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -220.404010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.404010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.404010 (E_RNA)
where:
Base-Base interactions energy: -127.589
where: short stacking energy: -74.905
Base-Backbone interact. energy: 1.827
local terms energy: -94.642138
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -194.198872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.198872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.198872 (E_RNA)
where:
Base-Base interactions energy: -111.024
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.635
local terms energy: -82.539611
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -127.959450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.959450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.959450 (E_RNA)
where:
Base-Base interactions energy: -46.942
where: short stacking energy: -29.619
Base-Backbone interact. energy: -2.095
local terms energy: -78.922205
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: 1.838
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: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -184.666819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.666819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.666819 (E_RNA)
where:
Base-Base interactions energy: -110.677
where: short stacking energy: -60.190
Base-Backbone interact. energy: 0.680
local terms energy: -74.669798
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -7.880
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: 198
Temperature: 0.900000
Total energy: -366.948890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.948890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.948890 (E_RNA)
where:
Base-Base interactions energy: -249.040
where: short stacking energy: -110.557
Base-Backbone interact. energy: -0.378
local terms energy: -117.531200
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -308.323472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.323472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.323472 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -111.575
Base-Backbone interact. energy: -0.479
local terms energy: -111.932350
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -28.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -337.624452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.624452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.624452 (E_RNA)
where:
Base-Base interactions energy: -226.867
where: short stacking energy: -131.161
Base-Backbone interact. energy: -0.309
local terms energy: -110.448878
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -32.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -293.883795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.883795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.883795 (E_RNA)
where:
Base-Base interactions energy: -195.122
where: short stacking energy: -91.933
Base-Backbone interact. energy: 1.009
local terms energy: -99.770850
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -17.030
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -235.774588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.774588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.774588 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -94.453
Base-Backbone interact. energy: -0.094
local terms energy: -97.692549
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -14.134
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: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -244.186513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.186513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.186513 (E_RNA)
where:
Base-Base interactions energy: -152.571
where: short stacking energy: -91.386
Base-Backbone interact. energy: -0.154
local terms energy: -91.461717
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -20.479
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: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -211.367836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367836 (E_RNA)
where:
Base-Base interactions energy: -123.068
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.728
local terms energy: -87.571599
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -9.515
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: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -167.546858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.546858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.546858 (E_RNA)
where:
Base-Base interactions energy: -101.635
where: short stacking energy: -63.176
Base-Backbone interact. energy: -0.142
local terms energy: -65.770669
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -202.266579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.266579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.266579 (E_RNA)
where:
Base-Base interactions energy: -109.559
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.127
local terms energy: -92.580970
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.870
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: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -124.230973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.230973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.230973 (E_RNA)
where:
Base-Base interactions energy: -47.029
where: short stacking energy: -35.715
Base-Backbone interact. energy: 0.015
local terms energy: -77.216318
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -363.859288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.859288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.859288 (E_RNA)
where:
Base-Base interactions energy: -249.814
where: short stacking energy: -117.008
Base-Backbone interact. energy: 1.123
local terms energy: -115.167645
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -28.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -308.663964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.663964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.663964 (E_RNA)
where:
Base-Base interactions energy: -197.034
where: short stacking energy: -107.965
Base-Backbone interact. energy: -0.214
local terms energy: -111.416620
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -28.324
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: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -351.742060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.742060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.742060 (E_RNA)
where:
Base-Base interactions energy: -227.938
where: short stacking energy: -133.908
Base-Backbone interact. energy: -0.310
local terms energy: -123.494049
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -278.784337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.784337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.784337 (E_RNA)
where:
Base-Base interactions energy: -178.271
where: short stacking energy: -83.459
Base-Backbone interact. energy: -1.772
local terms energy: -98.741229
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -266.127047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.127047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.127047 (E_RNA)
where:
Base-Base interactions energy: -166.577
where: short stacking energy: -99.727
Base-Backbone interact. energy: -0.828
local terms energy: -98.721989
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -255.685825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.685825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.685825 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -96.404
Base-Backbone interact. energy: -0.062
local terms energy: -98.395664
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -201.094961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.094961 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.038
local terms energy: -84.264182
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -10.312
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: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -219.176709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176709 (E_RNA)
where:
Base-Base interactions energy: -127.889
where: short stacking energy: -74.616
Base-Backbone interact. energy: -0.088
local terms energy: -91.199853
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -14.448
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: 199
Temperature: 1.300000
Total energy: -127.537579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.537579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.537579 (E_RNA)
where:
Base-Base interactions energy: -47.397
where: short stacking energy: -47.397
Base-Backbone interact. energy: -0.138
local terms energy: -80.003011
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -1.854
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: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -127.546570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.546570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.546570 (E_RNA)
where:
Base-Base interactions energy: -53.386
where: short stacking energy: -38.185
Base-Backbone interact. energy: -1.220
local terms energy: -72.940387
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -355.960926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.960926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.960926 (E_RNA)
where:
Base-Base interactions energy: -239.318
where: short stacking energy: -111.906
Base-Backbone interact. energy: -0.540
local terms energy: -116.103374
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -317.932234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.932234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.932234 (E_RNA)
where:
Base-Base interactions energy: -201.318
where: short stacking energy: -121.633
Base-Backbone interact. energy: -2.458
local terms energy: -114.156011
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -333.958263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.958263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.958263 (E_RNA)
where:
Base-Base interactions energy: -216.892
where: short stacking energy: -104.172
Base-Backbone interact. energy: -0.109
local terms energy: -116.957624
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -274.484972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.484972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.484972 (E_RNA)
where:
Base-Base interactions energy: -168.112
where: short stacking energy: -94.814
Base-Backbone interact. energy: -0.603
local terms energy: -105.770131
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -24.819
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: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -276.443784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.443784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.443784 (E_RNA)
where:
Base-Base interactions energy: -172.788
where: short stacking energy: -103.589
Base-Backbone interact. energy: 0.516
local terms energy: -104.172091
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -31.346
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -245.625935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.625935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.625935 (E_RNA)
where:
Base-Base interactions energy: -151.667
where: short stacking energy: -82.605
Base-Backbone interact. energy: 0.672
local terms energy: -94.630872
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -221.546992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.546992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.546992 (E_RNA)
where:
Base-Base interactions energy: -125.482
where: short stacking energy: -83.419
Base-Backbone interact. energy: -0.058
local terms energy: -96.007514
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -20.254
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: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -214.722987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.722987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.722987 (E_RNA)
where:
Base-Base interactions energy: -115.127
where: short stacking energy: -72.530
Base-Backbone interact. energy: -1.164
local terms energy: -98.431973
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -119.063572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.063572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.063572 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.489
local terms energy: -68.168441
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -137.752540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.752540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.752540 (E_RNA)
where:
Base-Base interactions energy: -64.433
where: short stacking energy: -57.729
Base-Backbone interact. energy: 2.097
local terms energy: -75.417272
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -11.186
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: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -354.902019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.902019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.902019 (E_RNA)
where:
Base-Base interactions energy: -235.671
where: short stacking energy: -110.543
Base-Backbone interact. energy: 0.456
local terms energy: -119.686610
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -28.727
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: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -322.535023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.535023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.535023 (E_RNA)
where:
Base-Base interactions energy: -197.898
where: short stacking energy: -98.700
Base-Backbone interact. energy: -0.385
local terms energy: -124.251821
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -22.691
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: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -319.233013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.233013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.233013 (E_RNA)
where:
Base-Base interactions energy: -200.294
where: short stacking energy: -120.553
Base-Backbone interact. energy: -0.815
local terms energy: -118.123565
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -29.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -288.692328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.692328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.692328 (E_RNA)
where:
Base-Base interactions energy: -172.347
where: short stacking energy: -119.977
Base-Backbone interact. energy: -0.222
local terms energy: -116.123497
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -282.695908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.695908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.695908 (E_RNA)
where:
Base-Base interactions energy: -182.345
where: short stacking energy: -101.700
Base-Backbone interact. energy: -0.458
local terms energy: -99.892814
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -229.637544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.637544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.637544 (E_RNA)
where:
Base-Base interactions energy: -129.961
where: short stacking energy: -76.389
Base-Backbone interact. energy: -0.610
local terms energy: -99.066991
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -215.428989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.428989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.428989 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.269
local terms energy: -100.196463
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -14.138
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: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -221.439473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.439473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.439473 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -70.330
Base-Backbone interact. energy: 0.718
local terms energy: -83.016780
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -132.282526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.282526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.282526 (E_RNA)
where:
Base-Base interactions energy: -57.562
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.087
local terms energy: -74.633911
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -132.402433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.402433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.402433 (E_RNA)
where:
Base-Base interactions energy: -60.499
where: short stacking energy: -42.756
Base-Backbone interact. energy: -0.203
local terms energy: -71.700217
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -363.483871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.483871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.483871 (E_RNA)
where:
Base-Base interactions energy: -250.129
where: short stacking energy: -115.265
Base-Backbone interact. energy: 0.866
local terms energy: -114.220261
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -26.241
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -349.594453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.594453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.594453 (E_RNA)
where:
Base-Base interactions energy: -226.972
where: short stacking energy: -129.264
Base-Backbone interact. energy: 0.257
local terms energy: -122.879503
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -317.900039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.900039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.900039 (E_RNA)
where:
Base-Base interactions energy: -197.616
where: short stacking energy: -115.774
Base-Backbone interact. energy: -0.810
local terms energy: -119.473328
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -33.346
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: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -268.323345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.323345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.323345 (E_RNA)
where:
Base-Base interactions energy: -154.784
where: short stacking energy: -93.897
Base-Backbone interact. energy: -1.742
local terms energy: -111.797065
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -19.452
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: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -279.912363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912363 (E_RNA)
where:
Base-Base interactions energy: -179.262
where: short stacking energy: -110.641
Base-Backbone interact. energy: -0.619
local terms energy: -100.030652
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -234.319528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.319528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.319528 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -70.477
Base-Backbone interact. energy: 1.395
local terms energy: -91.833692
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -262.336951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.336951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.336951 (E_RNA)
where:
Base-Base interactions energy: -168.171
where: short stacking energy: -93.048
Base-Backbone interact. energy: -0.382
local terms energy: -93.783372
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -191.396965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.396965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.396965 (E_RNA)
where:
Base-Base interactions energy: -119.233
where: short stacking energy: -75.467
Base-Backbone interact. energy: 1.674
local terms energy: -73.838701
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -124.497054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.497054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.497054 (E_RNA)
where:
Base-Base interactions energy: -61.662
where: short stacking energy: -46.488
Base-Backbone interact. energy: -0.325
local terms energy: -62.509435
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -11.153
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: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -133.681149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.681149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.681149 (E_RNA)
where:
Base-Base interactions energy: -49.552
where: short stacking energy: -47.500
Base-Backbone interact. energy: -1.751
local terms energy: -82.377665
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -370.348594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.348594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.348594 (E_RNA)
where:
Base-Base interactions energy: -247.378
where: short stacking energy: -122.223
Base-Backbone interact. energy: -0.586
local terms energy: -122.384552
where:
bonds (distance) C4'-P energy: -24.953
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -29.038
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: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -351.426411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.426411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.426411 (E_RNA)
where:
Base-Base interactions energy: -229.865
where: short stacking energy: -125.299
Base-Backbone interact. energy: -0.605
local terms energy: -120.956192
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -304.443796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.443796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.443796 (E_RNA)
where:
Base-Base interactions energy: -193.314
where: short stacking energy: -119.211
Base-Backbone interact. energy: 1.106
local terms energy: -112.236058
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -259.437757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.437757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.437757 (E_RNA)
where:
Base-Base interactions energy: -164.410
where: short stacking energy: -94.365
Base-Backbone interact. energy: 0.374
local terms energy: -95.402069
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -259.621644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.621644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.621644 (E_RNA)
where:
Base-Base interactions energy: -159.133
where: short stacking energy: -85.836
Base-Backbone interact. energy: -4.113
local terms energy: -96.375105
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -247.783182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.783182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.783182 (E_RNA)
where:
Base-Base interactions energy: -144.331
where: short stacking energy: -94.990
Base-Backbone interact. energy: -0.899
local terms energy: -102.552767
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -21.991
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: 203
Temperature: 1.200000
Total energy: -232.058512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.058512 (E_RNA)
where:
Base-Base interactions energy: -147.166
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.812
local terms energy: -84.080321
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -152.943882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.943882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.943882 (E_RNA)
where:
Base-Base interactions energy: -74.486
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.046
local terms energy: -78.412545
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -193.854580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.854580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.854580 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.335
local terms energy: -70.893513
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -1.909
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: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -118.127304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.127304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.127304 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.343
local terms energy: -76.946360
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -355.971030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.971030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.971030 (E_RNA)
where:
Base-Base interactions energy: -231.942
where: short stacking energy: -106.177
Base-Backbone interact. energy: -1.355
local terms energy: -122.674461
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -24.485
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: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -336.643883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.643883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.643883 (E_RNA)
where:
Base-Base interactions energy: -212.716
where: short stacking energy: -106.771
Base-Backbone interact. energy: -1.797
local terms energy: -122.130849
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -26.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -305.673476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.673476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.673476 (E_RNA)
where:
Base-Base interactions energy: -187.350
where: short stacking energy: -117.912
Base-Backbone interact. energy: -0.031
local terms energy: -118.293001
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -27.822
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: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -280.059061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.059061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.059061 (E_RNA)
where:
Base-Base interactions energy: -177.817
where: short stacking energy: -104.482
Base-Backbone interact. energy: -0.107
local terms energy: -102.134593
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -22.342
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: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -263.543522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.543522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.543522 (E_RNA)
where:
Base-Base interactions energy: -165.373
where: short stacking energy: -89.876
Base-Backbone interact. energy: -0.150
local terms energy: -98.020630
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -251.253717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.253717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.253717 (E_RNA)
where:
Base-Base interactions energy: -145.685
where: short stacking energy: -92.176
Base-Backbone interact. energy: -0.104
local terms energy: -105.464846
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -23.470
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: 204
Temperature: 1.200000
Total energy: -228.531700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.531700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.531700 (E_RNA)
where:
Base-Base interactions energy: -142.959
where: short stacking energy: -81.393
Base-Backbone interact. energy: -0.371
local terms energy: -85.200847
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -15.364
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: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -153.862030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.862030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.862030 (E_RNA)
where:
Base-Base interactions energy: -73.846
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.918
local terms energy: -79.098497
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -6.580
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: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -191.978401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.978401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.978401 (E_RNA)
where:
Base-Base interactions energy: -107.963
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.200
local terms energy: -83.815524
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -9.841
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: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -124.157634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.157634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.157634 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.182
local terms energy: -86.122372
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -358.312143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.312143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.312143 (E_RNA)
where:
Base-Base interactions energy: -242.681
where: short stacking energy: -120.436
Base-Backbone interact. energy: -0.333
local terms energy: -115.298269
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -335.371411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.371411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.371411 (E_RNA)
where:
Base-Base interactions energy: -217.578
where: short stacking energy: -117.439
Base-Backbone interact. energy: -0.003
local terms energy: -117.790298
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -32.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -303.205118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.205118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.205118 (E_RNA)
where:
Base-Base interactions energy: -191.655
where: short stacking energy: -99.998
Base-Backbone interact. energy: -0.756
local terms energy: -110.794042
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -330.634591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.634591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.634591 (E_RNA)
where:
Base-Base interactions energy: -220.907
where: short stacking energy: -115.318
Base-Backbone interact. energy: -0.061
local terms energy: -109.666861
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -28.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -266.323110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.323110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.323110 (E_RNA)
where:
Base-Base interactions energy: -174.405
where: short stacking energy: -102.548
Base-Backbone interact. energy: -0.245
local terms energy: -91.672967
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -19.652
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -256.211843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.211843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.211843 (E_RNA)
where:
Base-Base interactions energy: -161.324
where: short stacking energy: -92.118
Base-Backbone interact. energy: -0.964
local terms energy: -93.923884
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -18.219
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: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -234.218368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.218368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.218368 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -83.563
Base-Backbone interact. energy: -0.548
local terms energy: -84.274759
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -201.527830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.527830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.527830 (E_RNA)
where:
Base-Base interactions energy: -118.327
where: short stacking energy: -55.039
Base-Backbone interact. energy: -0.301
local terms energy: -82.899578
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -161.708347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.708347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.708347 (E_RNA)
where:
Base-Base interactions energy: -78.981
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.662
local terms energy: -82.064660
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -143.517863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.517863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.517863 (E_RNA)
where:
Base-Base interactions energy: -81.055
where: short stacking energy: -37.304
Base-Backbone interact. energy: -1.279
local terms energy: -61.183682
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -346.479264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.479264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.479264 (E_RNA)
where:
Base-Base interactions energy: -227.744
where: short stacking energy: -108.619
Base-Backbone interact. energy: -0.238
local terms energy: -118.497616
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -30.449
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: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -341.741752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.741752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.741752 (E_RNA)
where:
Base-Base interactions energy: -229.716
where: short stacking energy: -118.501
Base-Backbone interact. energy: -0.760
local terms energy: -111.265085
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -30.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -333.057986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.057986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.057986 (E_RNA)
where:
Base-Base interactions energy: -217.804
where: short stacking energy: -107.802
Base-Backbone interact. energy: -0.186
local terms energy: -115.067554
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -299.663295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.663295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.663295 (E_RNA)
where:
Base-Base interactions energy: -191.470
where: short stacking energy: -107.128
Base-Backbone interact. energy: -1.027
local terms energy: -107.166448
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -283.408068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.408068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.408068 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -103.238
Base-Backbone interact. energy: -0.079
local terms energy: -108.478896
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -245.524305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.524305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.524305 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -82.472
Base-Backbone interact. energy: -0.029
local terms energy: -95.009051
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -231.304061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.304061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304061 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -85.368
Base-Backbone interact. energy: -1.346
local terms energy: -87.074616
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -22.666
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: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -208.819971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.819971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.819971 (E_RNA)
where:
Base-Base interactions energy: -119.523
where: short stacking energy: -71.553
Base-Backbone interact. energy: 1.603
local terms energy: -90.900469
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -19.758
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: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -173.662816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.662816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.662816 (E_RNA)
where:
Base-Base interactions energy: -102.996
where: short stacking energy: -63.961
Base-Backbone interact. energy: 1.199
local terms energy: -71.866157
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -125.800129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.800129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.800129 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -39.814
Base-Backbone interact. energy: 0.020
local terms energy: -85.870637
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -3.446
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: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -358.696340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.696340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.696340 (E_RNA)
where:
Base-Base interactions energy: -246.292
where: short stacking energy: -113.949
Base-Backbone interact. energy: -0.290
local terms energy: -112.113803
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -26.660
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -347.270331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.270331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.270331 (E_RNA)
where:
Base-Base interactions energy: -223.443
where: short stacking energy: -117.346
Base-Backbone interact. energy: -2.528
local terms energy: -121.299866
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -332.906231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.906231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.906231 (E_RNA)
where:
Base-Base interactions energy: -213.479
where: short stacking energy: -116.451
Base-Backbone interact. energy: -0.309
local terms energy: -119.117553
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -29.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -295.638996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.638996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.638996 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -107.924
Base-Backbone interact. energy: -0.511
local terms energy: -104.872027
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -269.840611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.840611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.840611 (E_RNA)
where:
Base-Base interactions energy: -169.762
where: short stacking energy: -88.948
Base-Backbone interact. energy: -0.726
local terms energy: -99.352190
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -264.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.220778 (E_RNA)
where:
Base-Base interactions energy: -177.081
where: short stacking energy: -82.641
Base-Backbone interact. energy: -1.471
local terms energy: -85.669003
where:
bonds (distance) C4'-P energy: -5.633
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -227.427231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.427231 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -70.909
Base-Backbone interact. energy: -1.462
local terms energy: -101.543460
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -208.939393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.939393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.939393 (E_RNA)
where:
Base-Base interactions energy: -132.699
where: short stacking energy: -75.283
Base-Backbone interact. energy: -0.907
local terms energy: -75.333276
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -8.930
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: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -163.199841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.199841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.199841 (E_RNA)
where:
Base-Base interactions energy: -84.013
where: short stacking energy: -57.377
Base-Backbone interact. energy: -0.497
local terms energy: -78.690380
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -132.123745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.123745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.123745 (E_RNA)
where:
Base-Base interactions energy: -57.590
where: short stacking energy: -56.545
Base-Backbone interact. energy: 1.789
local terms energy: -76.322492
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -0.624
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: 208
Temperature: 0.900000
Total energy: -348.317692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.317692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.317692 (E_RNA)
where:
Base-Base interactions energy: -233.504
where: short stacking energy: -127.088
Base-Backbone interact. energy: -0.364
local terms energy: -114.449526
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -355.524671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.524671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.524671 (E_RNA)
where:
Base-Base interactions energy: -236.489
where: short stacking energy: -113.361
Base-Backbone interact. energy: -0.550
local terms energy: -118.485291
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -27.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -319.000448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.000448 (E_RNA)
where:
Base-Base interactions energy: -204.066
where: short stacking energy: -112.402
Base-Backbone interact. energy: -0.995
local terms energy: -113.939728
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -28.977
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: 208
Temperature: 1.050000
Total energy: -336.801386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.801386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.801386 (E_RNA)
where:
Base-Base interactions energy: -215.116
where: short stacking energy: -124.946
Base-Backbone interact. energy: -0.086
local terms energy: -121.599348
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -34.500
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -279.208418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.208418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.208418 (E_RNA)
where:
Base-Base interactions energy: -168.666
where: short stacking energy: -101.722
Base-Backbone interact. energy: -0.034
local terms energy: -110.508138
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -25.738
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: 208
Temperature: 1.150000
Total energy: -270.386440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.386440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.386440 (E_RNA)
where:
Base-Base interactions energy: -168.395
where: short stacking energy: -93.972
Base-Backbone interact. energy: -0.374
local terms energy: -101.617226
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -225.221369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221369 (E_RNA)
where:
Base-Base interactions energy: -130.828
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.869
local terms energy: -93.524478
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -206.193063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.193063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.193063 (E_RNA)
where:
Base-Base interactions energy: -128.531
where: short stacking energy: -68.593
Base-Backbone interact. energy: 0.624
local terms energy: -78.285552
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -12.358
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: 208
Temperature: 1.300000
Total energy: -130.139649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.139649 (E_RNA)
where:
Base-Base interactions energy: -65.137
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.138
local terms energy: -64.865087
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -146.423505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.423505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.423505 (E_RNA)
where:
Base-Base interactions energy: -82.525
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.399
local terms energy: -63.500062
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -6.413
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -346.446548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.446548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.446548 (E_RNA)
where:
Base-Base interactions energy: -229.192
where: short stacking energy: -121.679
Base-Backbone interact. energy: -0.787
local terms energy: -116.467175
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -350.793120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.793120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.793120 (E_RNA)
where:
Base-Base interactions energy: -236.477
where: short stacking energy: -104.497
Base-Backbone interact. energy: -0.450
local terms energy: -113.866179
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -29.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -320.865925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.865925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.865925 (E_RNA)
where:
Base-Base interactions energy: -206.568
where: short stacking energy: -118.178
Base-Backbone interact. energy: -0.759
local terms energy: -113.539740
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -30.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -331.940015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.940015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.940015 (E_RNA)
where:
Base-Base interactions energy: -224.539
where: short stacking energy: -113.919
Base-Backbone interact. energy: -0.378
local terms energy: -107.023051
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -274.006972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.006972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.006972 (E_RNA)
where:
Base-Base interactions energy: -164.819
where: short stacking energy: -93.141
Base-Backbone interact. energy: 3.110
local terms energy: -112.297837
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -260.432164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.432164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.432164 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -89.891
Base-Backbone interact. energy: -0.115
local terms energy: -99.579421
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -228.602892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.602892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.602892 (E_RNA)
where:
Base-Base interactions energy: -132.323
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.615
local terms energy: -95.664899
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -14.533
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -216.604786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.604786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.604786 (E_RNA)
where:
Base-Base interactions energy: -137.791
where: short stacking energy: -78.087
Base-Backbone interact. energy: -0.741
local terms energy: -78.072689
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -144.313453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.313453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.313453 (E_RNA)
where:
Base-Base interactions energy: -64.271
where: short stacking energy: -42.773
Base-Backbone interact. energy: -1.207
local terms energy: -78.835299
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -154.618647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.618647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.618647 (E_RNA)
where:
Base-Base interactions energy: -89.005
where: short stacking energy: -50.332
Base-Backbone interact. energy: -1.120
local terms energy: -64.492855
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -1.584
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: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -357.993076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.993076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.993076 (E_RNA)
where:
Base-Base interactions energy: -244.306
where: short stacking energy: -103.724
Base-Backbone interact. energy: -0.894
local terms energy: -112.792750
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -357.724478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.724478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.724478 (E_RNA)
where:
Base-Base interactions energy: -236.514
where: short stacking energy: -123.156
Base-Backbone interact. energy: -0.393
local terms energy: -120.817410
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -32.513
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: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -341.309543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.309543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.309543 (E_RNA)
where:
Base-Base interactions energy: -232.805
where: short stacking energy: -112.547
Base-Backbone interact. energy: -0.132
local terms energy: -108.372556
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -26.790
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: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -307.642720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.642720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.642720 (E_RNA)
where:
Base-Base interactions energy: -190.135
where: short stacking energy: -98.967
Base-Backbone interact. energy: -2.162
local terms energy: -115.346228
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -27.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -291.468589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.468589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.468589 (E_RNA)
where:
Base-Base interactions energy: -181.460
where: short stacking energy: -106.733
Base-Backbone interact. energy: -0.010
local terms energy: -109.997931
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -27.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -249.399202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.399202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.399202 (E_RNA)
where:
Base-Base interactions energy: -157.304
where: short stacking energy: -87.335
Base-Backbone interact. energy: -0.193
local terms energy: -91.902190
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -211.005342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.005342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005342 (E_RNA)
where:
Base-Base interactions energy: -133.935
where: short stacking energy: -77.584
Base-Backbone interact. energy: -0.152
local terms energy: -76.918050
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -182.206536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.206536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.206536 (E_RNA)
where:
Base-Base interactions energy: -96.527
where: short stacking energy: -68.126
Base-Backbone interact. energy: 1.639
local terms energy: -87.318866
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -159.236213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.236213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.236213 (E_RNA)
where:
Base-Base interactions energy: -90.661
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.205
local terms energy: -68.370026
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -141.469698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.469698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.469698 (E_RNA)
where:
Base-Base interactions energy: -63.009
where: short stacking energy: -50.856
Base-Backbone interact. energy: -0.475
local terms energy: -77.985476
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -352.268262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.268262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.268262 (E_RNA)
where:
Base-Base interactions energy: -238.813
where: short stacking energy: -103.900
Base-Backbone interact. energy: -0.686
local terms energy: -112.768636
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -25.827
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -341.757246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.757246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.757246 (E_RNA)
where:
Base-Base interactions energy: -220.765
where: short stacking energy: -119.504
Base-Backbone interact. energy: -0.043
local terms energy: -120.949483
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -355.648248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.648248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.648248 (E_RNA)
where:
Base-Base interactions energy: -231.775
where: short stacking energy: -126.195
Base-Backbone interact. energy: -0.546
local terms energy: -123.327113
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -27.878
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -34.535
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: 211
Temperature: 1.050000
Total energy: -292.222363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.222363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.222363 (E_RNA)
where:
Base-Base interactions energy: -184.807
where: short stacking energy: -93.986
Base-Backbone interact. energy: -0.428
local terms energy: -106.986698
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -246.453368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.453368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.453368 (E_RNA)
where:
Base-Base interactions energy: -156.150
where: short stacking energy: -80.861
Base-Backbone interact. energy: -1.968
local terms energy: -88.335084
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -274.852673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.852673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.852673 (E_RNA)
where:
Base-Base interactions energy: -170.020
where: short stacking energy: -104.900
Base-Backbone interact. energy: 1.947
local terms energy: -106.779344
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -231.900740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.900740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.900740 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -82.049
Base-Backbone interact. energy: -0.796
local terms energy: -104.249799
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -14.271
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -215.904712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.904712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.904712 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.078
local terms energy: -90.259944
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -16.259
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -141.882838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.882838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.882838 (E_RNA)
where:
Base-Base interactions energy: -64.662
where: short stacking energy: -38.280
Base-Backbone interact. energy: 0.174
local terms energy: -77.394937
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -136.179347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.179347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.179347 (E_RNA)
where:
Base-Base interactions energy: -62.490
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.632
local terms energy: -73.056761
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: 2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -335.641217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.641217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.641217 (E_RNA)
where:
Base-Base interactions energy: -227.831
where: short stacking energy: -104.928
Base-Backbone interact. energy: -0.848
local terms energy: -106.962361
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -319.759378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.759378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.759378 (E_RNA)
where:
Base-Base interactions energy: -204.426
where: short stacking energy: -109.174
Base-Backbone interact. energy: -0.806
local terms energy: -114.527553
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -29.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -342.584878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.584878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.584878 (E_RNA)
where:
Base-Base interactions energy: -224.597
where: short stacking energy: -108.469
Base-Backbone interact. energy: -0.352
local terms energy: -117.635929
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -265.270263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.270263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.270263 (E_RNA)
where:
Base-Base interactions energy: -161.303
where: short stacking energy: -97.187
Base-Backbone interact. energy: -0.034
local terms energy: -103.932744
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -259.103771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.103771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.103771 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -99.316
Base-Backbone interact. energy: -1.225
local terms energy: -100.737675
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -271.574450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.574450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.574450 (E_RNA)
where:
Base-Base interactions energy: -165.328
where: short stacking energy: -96.125
Base-Backbone interact. energy: 0.699
local terms energy: -106.945311
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -212.410679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.410679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.410679 (E_RNA)
where:
Base-Base interactions energy: -117.838
where: short stacking energy: -79.986
Base-Backbone interact. energy: -0.712
local terms energy: -93.860569
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -16.112
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: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -205.415632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.415632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.415632 (E_RNA)
where:
Base-Base interactions energy: -114.784
where: short stacking energy: -71.302
Base-Backbone interact. energy: -1.328
local terms energy: -89.303719
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -170.014300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.014300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.014300 (E_RNA)
where:
Base-Base interactions energy: -82.627
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.183
local terms energy: -87.204508
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -141.475387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.475387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.475387 (E_RNA)
where:
Base-Base interactions energy: -76.633
where: short stacking energy: -39.930
Base-Backbone interact. energy: -0.519
local terms energy: -64.323464
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -358.427824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.427824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.427824 (E_RNA)
where:
Base-Base interactions energy: -238.631
where: short stacking energy: -116.899
Base-Backbone interact. energy: -0.276
local terms energy: -119.520438
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -23.766
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: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -348.323438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.323438 (E_RNA)
where:
Base-Base interactions energy: -234.659
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.152
local terms energy: -113.512057
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -324.943404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.943404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.943404 (E_RNA)
where:
Base-Base interactions energy: -205.718
where: short stacking energy: -103.494
Base-Backbone interact. energy: -0.383
local terms energy: -118.843032
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -277.277599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.277599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.277599 (E_RNA)
where:
Base-Base interactions energy: -160.280
where: short stacking energy: -99.591
Base-Backbone interact. energy: -0.209
local terms energy: -116.788999
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -14.110
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: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -262.491559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.491559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.491559 (E_RNA)
where:
Base-Base interactions energy: -168.800
where: short stacking energy: -95.906
Base-Backbone interact. energy: -1.328
local terms energy: -92.363788
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -21.849
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: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -259.190939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.190939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.190939 (E_RNA)
where:
Base-Base interactions energy: -158.340
where: short stacking energy: -87.655
Base-Backbone interact. energy: -0.324
local terms energy: -100.527149
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -227.115723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.115723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.115723 (E_RNA)
where:
Base-Base interactions energy: -127.600
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.190
local terms energy: -99.325017
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -164.670184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.670184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.670184 (E_RNA)
where:
Base-Base interactions energy: -80.604
where: short stacking energy: -49.949
Base-Backbone interact. energy: -1.001
local terms energy: -83.065286
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -203.808808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.808808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.808808 (E_RNA)
where:
Base-Base interactions energy: -122.181
where: short stacking energy: -58.843
Base-Backbone interact. energy: 0.188
local terms energy: -81.815577
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -120.927140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.927140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.927140 (E_RNA)
where:
Base-Base interactions energy: -51.828
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.000
local terms energy: -69.098682
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -369.924831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.924831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.924831 (E_RNA)
where:
Base-Base interactions energy: -255.347
where: short stacking energy: -124.533
Base-Backbone interact. energy: -1.488
local terms energy: -113.090728
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -29.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -345.299718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.299718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.299718 (E_RNA)
where:
Base-Base interactions energy: -235.947
where: short stacking energy: -118.135
Base-Backbone interact. energy: -0.124
local terms energy: -109.228942
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -326.735310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.735310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.735310 (E_RNA)
where:
Base-Base interactions energy: -218.500
where: short stacking energy: -117.087
Base-Backbone interact. energy: -0.616
local terms energy: -107.619196
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -259.786622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.786622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.786622 (E_RNA)
where:
Base-Base interactions energy: -166.168
where: short stacking energy: -102.543
Base-Backbone interact. energy: -0.743
local terms energy: -92.875893
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -272.612949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.612949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.612949 (E_RNA)
where:
Base-Base interactions energy: -161.416
where: short stacking energy: -92.244
Base-Backbone interact. energy: 0.245
local terms energy: -111.441645
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -20.384
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: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -244.858019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.858019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.858019 (E_RNA)
where:
Base-Base interactions energy: -146.406
where: short stacking energy: -80.093
Base-Backbone interact. energy: -0.041
local terms energy: -98.410684
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -18.112
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: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -186.175584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.175584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.175584 (E_RNA)
where:
Base-Base interactions energy: -110.822
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.590
local terms energy: -74.763511
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -11.391
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: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -145.282255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.282255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.282255 (E_RNA)
where:
Base-Base interactions energy: -68.263
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.544
local terms energy: -76.474678
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -6.415
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: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -194.289848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.289848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.289848 (E_RNA)
where:
Base-Base interactions energy: -114.083
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.528
local terms energy: -79.678147
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -124.052557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.052557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.052557 (E_RNA)
where:
Base-Base interactions energy: -55.484
where: short stacking energy: -50.605
Base-Backbone interact. energy: -0.361
local terms energy: -68.207291
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -367.164810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.164810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.164810 (E_RNA)
where:
Base-Base interactions energy: -246.964
where: short stacking energy: -122.059
Base-Backbone interact. energy: -0.790
local terms energy: -119.410455
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -347.294515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.294515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.294515 (E_RNA)
where:
Base-Base interactions energy: -233.637
where: short stacking energy: -107.458
Base-Backbone interact. energy: -0.184
local terms energy: -113.473441
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -24.416
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -313.197498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.197498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.197498 (E_RNA)
where:
Base-Base interactions energy: -203.296
where: short stacking energy: -103.815
Base-Backbone interact. energy: -0.047
local terms energy: -109.854077
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -27.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -277.614704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.614704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.614704 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -100.046
Base-Backbone interact. energy: -0.126
local terms energy: -106.934058
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -287.232766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.232766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.232766 (E_RNA)
where:
Base-Base interactions energy: -172.360
where: short stacking energy: -105.200
Base-Backbone interact. energy: -1.078
local terms energy: -113.794718
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -30.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -249.951715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.951715 (E_RNA)
where:
Base-Base interactions energy: -164.918
where: short stacking energy: -86.505
Base-Backbone interact. energy: -0.374
local terms energy: -84.659534
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -262.214419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.214419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.214419 (E_RNA)
where:
Base-Base interactions energy: -165.327
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.295
local terms energy: -96.592687
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -216.070497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.070497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.070497 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.199
local terms energy: -86.393950
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -123.733445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.733445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.733445 (E_RNA)
where:
Base-Base interactions energy: -61.957
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.868
local terms energy: -60.908671
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -122.009094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.009094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.009094 (E_RNA)
where:
Base-Base interactions energy: -41.844
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.685
local terms energy: -79.480115
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -372.204662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.204662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.204662 (E_RNA)
where:
Base-Base interactions energy: -249.773
where: short stacking energy: -122.782
Base-Backbone interact. energy: -0.970
local terms energy: -121.461698
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -28.575
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -356.387141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.387141 (E_RNA)
where:
Base-Base interactions energy: -242.408
where: short stacking energy: -106.652
Base-Backbone interact. energy: 0.277
local terms energy: -114.256028
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -317.944491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.944491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.944491 (E_RNA)
where:
Base-Base interactions energy: -206.842
where: short stacking energy: -101.827
Base-Backbone interact. energy: -0.655
local terms energy: -110.447500
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -270.405096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.405096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.405096 (E_RNA)
where:
Base-Base interactions energy: -162.084
where: short stacking energy: -101.676
Base-Backbone interact. energy: -0.118
local terms energy: -108.203616
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -261.365659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.365659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.365659 (E_RNA)
where:
Base-Base interactions energy: -170.909
where: short stacking energy: -106.257
Base-Backbone interact. energy: -0.605
local terms energy: -89.851963
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -230.509341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.509341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.509341 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.555
local terms energy: -90.424077
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -11.586
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -243.784897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.784897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.784897 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -83.326
Base-Backbone interact. energy: -0.473
local terms energy: -99.134806
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -194.765767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.765767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.765767 (E_RNA)
where:
Base-Base interactions energy: -110.913
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.688
local terms energy: -83.164638
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -6.000
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: 216
Temperature: 1.300000
Total energy: -156.293298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.293298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.293298 (E_RNA)
where:
Base-Base interactions energy: -71.731
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.119
local terms energy: -84.443564
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -117.726228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.726228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.726228 (E_RNA)
where:
Base-Base interactions energy: -40.709
where: short stacking energy: -40.385
Base-Backbone interact. energy: -0.112
local terms energy: -76.905721
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -372.899027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.899027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.899027 (E_RNA)
where:
Base-Base interactions energy: -252.462
where: short stacking energy: -133.020
Base-Backbone interact. energy: -0.268
local terms energy: -120.168252
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -34.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -351.916916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.916916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.916916 (E_RNA)
where:
Base-Base interactions energy: -241.929
where: short stacking energy: -111.802
Base-Backbone interact. energy: 0.600
local terms energy: -110.587596
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -27.398
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -316.645901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.645901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.645901 (E_RNA)
where:
Base-Base interactions energy: -208.638
where: short stacking energy: -103.997
Base-Backbone interact. energy: -0.039
local terms energy: -107.969499
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -318.501733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.501733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.501733 (E_RNA)
where:
Base-Base interactions energy: -202.491
where: short stacking energy: -105.725
Base-Backbone interact. energy: -1.525
local terms energy: -114.485369
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -25.948
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -273.419094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.419094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.419094 (E_RNA)
where:
Base-Base interactions energy: -170.360
where: short stacking energy: -96.084
Base-Backbone interact. energy: -0.398
local terms energy: -102.661104
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -23.479
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: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -257.462100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.462100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.462100 (E_RNA)
where:
Base-Base interactions energy: -161.724
where: short stacking energy: -88.002
Base-Backbone interact. energy: 0.388
local terms energy: -96.126107
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -224.108993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108993 (E_RNA)
where:
Base-Base interactions energy: -136.567
where: short stacking energy: -76.527
Base-Backbone interact. energy: -2.228
local terms energy: -85.313549
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -194.175247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.175247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.175247 (E_RNA)
where:
Base-Base interactions energy: -102.760
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.286
local terms energy: -91.129835
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -3.245
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: 217
Temperature: 1.300000
Total energy: -153.783508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.783508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.783508 (E_RNA)
where:
Base-Base interactions energy: -74.120
where: short stacking energy: -49.650
Base-Backbone interact. energy: 0.198
local terms energy: -79.861604
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -12.634
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: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -121.443866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.443866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.443866 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.194
local terms energy: -76.579347
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -371.268819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.268819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.268819 (E_RNA)
where:
Base-Base interactions energy: -251.884
where: short stacking energy: -129.372
Base-Backbone interact. energy: -0.018
local terms energy: -119.367265
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -363.335196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.335196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.335196 (E_RNA)
where:
Base-Base interactions energy: -240.808
where: short stacking energy: -110.194
Base-Backbone interact. energy: -0.275
local terms energy: -122.251766
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -321.396601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.396601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.396601 (E_RNA)
where:
Base-Base interactions energy: -210.168
where: short stacking energy: -95.315
Base-Backbone interact. energy: -0.590
local terms energy: -110.638425
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -23.440
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -290.146143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.146143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.146143 (E_RNA)
where:
Base-Base interactions energy: -179.458
where: short stacking energy: -96.042
Base-Backbone interact. energy: -2.101
local terms energy: -108.586325
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -284.652852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.652852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.652852 (E_RNA)
where:
Base-Base interactions energy: -185.209
where: short stacking energy: -106.525
Base-Backbone interact. energy: -0.719
local terms energy: -98.724405
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -254.814857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.814857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.814857 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -78.536
Base-Backbone interact. energy: -0.549
local terms energy: -99.618807
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -217.698037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.698037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.698037 (E_RNA)
where:
Base-Base interactions energy: -116.850
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.927
local terms energy: -99.921872
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -227.229211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.229211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.229211 (E_RNA)
where:
Base-Base interactions energy: -135.005
where: short stacking energy: -83.015
Base-Backbone interact. energy: 0.397
local terms energy: -92.621109
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -164.473837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.473837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.473837 (E_RNA)
where:
Base-Base interactions energy: -86.311
where: short stacking energy: -53.033
Base-Backbone interact. energy: 2.892
local terms energy: -81.054261
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -126.970836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.970836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.970836 (E_RNA)
where:
Base-Base interactions energy: -54.484
where: short stacking energy: -51.015
Base-Backbone interact. energy: -0.226
local terms energy: -72.261061
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -4.968
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: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -357.401445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.401445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.401445 (E_RNA)
where:
Base-Base interactions energy: -233.020
where: short stacking energy: -127.178
Base-Backbone interact. energy: -0.002
local terms energy: -124.379739
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -31.072
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -323.131120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.131120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.131120 (E_RNA)
where:
Base-Base interactions energy: -213.301
where: short stacking energy: -106.026
Base-Backbone interact. energy: -0.193
local terms energy: -109.636939
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -346.355192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.355192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.355192 (E_RNA)
where:
Base-Base interactions energy: -240.255
where: short stacking energy: -119.506
Base-Backbone interact. energy: 0.004
local terms energy: -106.103858
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -28.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -290.772151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.772151 (E_RNA)
where:
Base-Base interactions energy: -171.977
where: short stacking energy: -92.821
Base-Backbone interact. energy: -0.675
local terms energy: -118.120407
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -274.475153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.475153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.475153 (E_RNA)
where:
Base-Base interactions energy: -159.514
where: short stacking energy: -90.446
Base-Backbone interact. energy: -0.757
local terms energy: -114.203979
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -248.030733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030733 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.351
local terms energy: -95.495385
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -230.330329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330329 (E_RNA)
where:
Base-Base interactions energy: -132.031
where: short stacking energy: -79.623
Base-Backbone interact. energy: -0.565
local terms energy: -97.733931
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -14.439
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: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -201.266905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.266905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.266905 (E_RNA)
where:
Base-Base interactions energy: -123.510
where: short stacking energy: -57.074
Base-Backbone interact. energy: 1.093
local terms energy: -78.849957
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -15.045
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -151.883213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883213 (E_RNA)
where:
Base-Base interactions energy: -80.664
where: short stacking energy: -52.049
Base-Backbone interact. energy: 0.755
local terms energy: -71.974514
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -1.610
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -125.445591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.445591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.445591 (E_RNA)
where:
Base-Base interactions energy: -54.521
where: short stacking energy: -49.979
Base-Backbone interact. energy: -0.691
local terms energy: -70.233701
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -367.971142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.971142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.971142 (E_RNA)
where:
Base-Base interactions energy: -246.527
where: short stacking energy: -116.405
Base-Backbone interact. energy: -0.099
local terms energy: -121.345621
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -29.437
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -334.760590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.760590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.760590 (E_RNA)
where:
Base-Base interactions energy: -230.188
where: short stacking energy: -121.034
Base-Backbone interact. energy: -0.407
local terms energy: -104.165208
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -345.252099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.252099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.252099 (E_RNA)
where:
Base-Base interactions energy: -237.866
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.620
local terms energy: -106.766400
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -291.398619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.398619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.398619 (E_RNA)
where:
Base-Base interactions energy: -187.421
where: short stacking energy: -102.547
Base-Backbone interact. energy: -0.766
local terms energy: -103.211566
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -267.471637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.471637 (E_RNA)
where:
Base-Base interactions energy: -174.015
where: short stacking energy: -98.931
Base-Backbone interact. energy: -0.829
local terms energy: -92.627693
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -260.930133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.930133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.930133 (E_RNA)
where:
Base-Base interactions energy: -169.622
where: short stacking energy: -93.138
Base-Backbone interact. energy: 0.387
local terms energy: -91.694243
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -16.061
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: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -198.991726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991726 (E_RNA)
where:
Base-Base interactions energy: -116.770
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.121
local terms energy: -82.100226
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -174.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.155454 (E_RNA)
where:
Base-Base interactions energy: -105.185
where: short stacking energy: -67.996
Base-Backbone interact. energy: 2.061
local terms energy: -71.031256
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -7.179
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: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -142.260050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.260050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.260050 (E_RNA)
where:
Base-Base interactions energy: -62.677
where: short stacking energy: -58.143
Base-Backbone interact. energy: 0.447
local terms energy: -80.029376
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -118.750876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.750876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.750876 (E_RNA)
where:
Base-Base interactions energy: -41.469
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.097
local terms energy: -77.184343
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -370.715557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.715557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.715557 (E_RNA)
where:
Base-Base interactions energy: -242.451
where: short stacking energy: -130.544
Base-Backbone interact. energy: -0.485
local terms energy: -127.779391
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -347.327043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.327043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.327043 (E_RNA)
where:
Base-Base interactions energy: -229.064
where: short stacking energy: -102.298
Base-Backbone interact. energy: -1.097
local terms energy: -117.165396
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -28.686
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: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -332.212918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.212918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.212918 (E_RNA)
where:
Base-Base interactions energy: -217.759
where: short stacking energy: -105.755
Base-Backbone interact. energy: -0.213
local terms energy: -114.241415
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -25.007
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -260.780903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.780903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.780903 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -92.695
Base-Backbone interact. energy: -0.489
local terms energy: -90.084500
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.504
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: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -281.684313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.684313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.684313 (E_RNA)
where:
Base-Base interactions energy: -178.308
where: short stacking energy: -99.429
Base-Backbone interact. energy: -0.301
local terms energy: -103.075420
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -250.142737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.142737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.142737 (E_RNA)
where:
Base-Base interactions energy: -154.858
where: short stacking energy: -86.445
Base-Backbone interact. energy: -0.223
local terms energy: -95.061660
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -197.231039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231039 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.209
local terms energy: -77.189628
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -144.847271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.847271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.847271 (E_RNA)
where:
Base-Base interactions energy: -69.072
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.636
local terms energy: -75.139985
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -159.613116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.613116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.613116 (E_RNA)
where:
Base-Base interactions energy: -83.235
where: short stacking energy: -49.825
Base-Backbone interact. energy: 1.343
local terms energy: -77.721097
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -127.582534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.582534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.582534 (E_RNA)
where:
Base-Base interactions energy: -63.289
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.262
local terms energy: -64.031340
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -7.270
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: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -368.620877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.620877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.620877 (E_RNA)
where:
Base-Base interactions energy: -243.875
where: short stacking energy: -114.979
Base-Backbone interact. energy: -1.028
local terms energy: -123.717159
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -27.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -363.413046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.413046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.413046 (E_RNA)
where:
Base-Base interactions energy: -244.508
where: short stacking energy: -132.367
Base-Backbone interact. energy: 0.265
local terms energy: -119.169509
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -31.075
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -335.048889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.048889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.048889 (E_RNA)
where:
Base-Base interactions energy: -225.504
where: short stacking energy: -113.806
Base-Backbone interact. energy: -1.768
local terms energy: -107.776761
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -18.101
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -276.919909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.919909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.919909 (E_RNA)
where:
Base-Base interactions energy: -163.033
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.735
local terms energy: -113.152646
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -246.768550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.768550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.768550 (E_RNA)
where:
Base-Base interactions energy: -160.563
where: short stacking energy: -97.630
Base-Backbone interact. energy: -0.642
local terms energy: -85.563251
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -266.731803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.731803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.731803 (E_RNA)
where:
Base-Base interactions energy: -166.465
where: short stacking energy: -102.491
Base-Backbone interact. energy: -0.120
local terms energy: -100.146521
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -169.720131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.720131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.720131 (E_RNA)
where:
Base-Base interactions energy: -75.625
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.888
local terms energy: -93.206442
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -223.072838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.072838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.072838 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -85.375
Base-Backbone interact. energy: -1.566
local terms energy: -80.061369
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -10.024
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: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -220.355262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.355262 (E_RNA)
where:
Base-Base interactions energy: -138.820
where: short stacking energy: -83.416
Base-Backbone interact. energy: 1.048
local terms energy: -82.583384
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -134.356762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.356762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.356762 (E_RNA)
where:
Base-Base interactions energy: -60.948
where: short stacking energy: -47.584
Base-Backbone interact. energy: -0.042
local terms energy: -73.367371
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -361.375623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.375623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.375623 (E_RNA)
where:
Base-Base interactions energy: -247.026
where: short stacking energy: -113.745
Base-Backbone interact. energy: -1.063
local terms energy: -113.287479
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -28.856
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: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -367.684567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.684567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.684567 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -127.701
Base-Backbone interact. energy: -0.005
local terms energy: -117.915810
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -34.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -333.286918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.286918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.286918 (E_RNA)
where:
Base-Base interactions energy: -219.521
where: short stacking energy: -114.913
Base-Backbone interact. energy: -0.619
local terms energy: -113.146980
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -288.734384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.734384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.734384 (E_RNA)
where:
Base-Base interactions energy: -184.951
where: short stacking energy: -100.550
Base-Backbone interact. energy: -0.562
local terms energy: -103.221851
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -263.338220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.338220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.338220 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -103.191
Base-Backbone interact. energy: 1.441
local terms energy: -95.588737
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -261.819453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.819453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.819453 (E_RNA)
where:
Base-Base interactions energy: -169.702
where: short stacking energy: -100.027
Base-Backbone interact. energy: -0.679
local terms energy: -91.438811
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -153.036213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.036213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.036213 (E_RNA)
where:
Base-Base interactions energy: -89.664
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.657
local terms energy: -62.715304
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -224.974988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.974988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.974988 (E_RNA)
where:
Base-Base interactions energy: -132.755
where: short stacking energy: -73.604
Base-Backbone interact. energy: -1.414
local terms energy: -90.805907
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -201.949953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.949953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.949953 (E_RNA)
where:
Base-Base interactions energy: -119.601
where: short stacking energy: -64.420
Base-Backbone interact. energy: 2.328
local terms energy: -84.676252
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -11.753
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: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -119.216078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.216078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.216078 (E_RNA)
where:
Base-Base interactions energy: -47.996
where: short stacking energy: -38.537
Base-Backbone interact. energy: -0.039
local terms energy: -71.180959
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: 1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -385.627275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.627275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.627275 (E_RNA)
where:
Base-Base interactions energy: -255.956
where: short stacking energy: -139.115
Base-Backbone interact. energy: -0.405
local terms energy: -129.265800
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -37.065
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: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -349.470616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.470616 (E_RNA)
where:
Base-Base interactions energy: -229.955
where: short stacking energy: -111.243
Base-Backbone interact. energy: -0.885
local terms energy: -118.630361
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -26.169
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -348.191490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.191490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.191490 (E_RNA)
where:
Base-Base interactions energy: -231.178
where: short stacking energy: -121.482
Base-Backbone interact. energy: -1.970
local terms energy: -115.043282
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -27.195
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: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -269.845252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.845252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.845252 (E_RNA)
where:
Base-Base interactions energy: -162.834
where: short stacking energy: -92.332
Base-Backbone interact. energy: -0.350
local terms energy: -106.662009
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -20.951
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: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -264.591950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.591950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.591950 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -93.516
Base-Backbone interact. energy: -0.361
local terms energy: -99.828831
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -262.065353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.065353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.065353 (E_RNA)
where:
Base-Base interactions energy: -166.645
where: short stacking energy: -90.366
Base-Backbone interact. energy: -1.364
local terms energy: -94.055726
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -246.330236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.330236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.330236 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -93.402
Base-Backbone interact. energy: -0.164
local terms energy: -98.389306
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -145.541134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.541134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.541134 (E_RNA)
where:
Base-Base interactions energy: -66.615
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.128
local terms energy: -78.798211
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -196.036930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.036930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.036930 (E_RNA)
where:
Base-Base interactions energy: -119.813
where: short stacking energy: -67.544
Base-Backbone interact. energy: 0.575
local terms energy: -76.799217
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -132.751927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.751927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.751927 (E_RNA)
where:
Base-Base interactions energy: -49.099
where: short stacking energy: -48.041
Base-Backbone interact. energy: -1.510
local terms energy: -82.142706
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -399.712694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.712694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.712694 (E_RNA)
where:
Base-Base interactions energy: -265.062
where: short stacking energy: -136.990
Base-Backbone interact. energy: -0.064
local terms energy: -134.587030
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -39.790
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: 225
Temperature: 0.950000
Total energy: -346.721934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.721934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.721934 (E_RNA)
where:
Base-Base interactions energy: -227.900
where: short stacking energy: -115.547
Base-Backbone interact. energy: -0.072
local terms energy: -118.749928
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -33.285
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: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -354.751441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.751441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.751441 (E_RNA)
where:
Base-Base interactions energy: -244.546
where: short stacking energy: -112.522
Base-Backbone interact. energy: -0.481
local terms energy: -109.724932
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -288.715808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.715808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.715808 (E_RNA)
where:
Base-Base interactions energy: -189.074
where: short stacking energy: -117.532
Base-Backbone interact. energy: -0.169
local terms energy: -99.473134
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -30.550
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: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -261.776893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.776893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.776893 (E_RNA)
where:
Base-Base interactions energy: -162.872
where: short stacking energy: -93.433
Base-Backbone interact. energy: -0.064
local terms energy: -98.840371
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -248.951424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.951424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.951424 (E_RNA)
where:
Base-Base interactions energy: -152.807
where: short stacking energy: -89.719
Base-Backbone interact. energy: -0.976
local terms energy: -95.168757
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -15.583
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -228.213280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.213280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.213280 (E_RNA)
where:
Base-Base interactions energy: -124.281
where: short stacking energy: -84.729
Base-Backbone interact. energy: -1.183
local terms energy: -102.748776
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -210.191003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.191003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191003 (E_RNA)
where:
Base-Base interactions energy: -131.094
where: short stacking energy: -61.817
Base-Backbone interact. energy: 0.189
local terms energy: -79.285955
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -119.675111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.675111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.675111 (E_RNA)
where:
Base-Base interactions energy: -53.518
where: short stacking energy: -42.907
Base-Backbone interact. energy: 2.337
local terms energy: -68.493780
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -153.907811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.907811 (E_RNA)
where:
Base-Base interactions energy: -93.211
where: short stacking energy: -51.213
Base-Backbone interact. energy: 0.432
local terms energy: -61.129189
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -2.663
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: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -403.756398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.756398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.756398 (E_RNA)
where:
Base-Base interactions energy: -266.197
where: short stacking energy: -142.116
Base-Backbone interact. energy: -0.693
local terms energy: -136.866038
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -40.524
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -341.210863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.210863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.210863 (E_RNA)
where:
Base-Base interactions energy: -215.786
where: short stacking energy: -112.707
Base-Backbone interact. energy: -0.281
local terms energy: -125.143545
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -29.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -351.950984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.950984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.950984 (E_RNA)
where:
Base-Base interactions energy: -232.300
where: short stacking energy: -113.927
Base-Backbone interact. energy: 2.391
local terms energy: -122.041541
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -289.333049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.333049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.333049 (E_RNA)
where:
Base-Base interactions energy: -177.544
where: short stacking energy: -116.513
Base-Backbone interact. energy: -0.955
local terms energy: -110.834526
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -261.668885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.668885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.668885 (E_RNA)
where:
Base-Base interactions energy: -165.850
where: short stacking energy: -89.202
Base-Backbone interact. energy: -0.245
local terms energy: -95.574545
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -17.741
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: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -249.616106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.616106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.616106 (E_RNA)
where:
Base-Base interactions energy: -149.073
where: short stacking energy: -83.268
Base-Backbone interact. energy: -0.416
local terms energy: -100.126908
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -238.893031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.893031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.893031 (E_RNA)
where:
Base-Base interactions energy: -139.601
where: short stacking energy: -77.432
Base-Backbone interact. energy: -0.099
local terms energy: -99.193084
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -226.902521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.902521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.902521 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -76.843
Base-Backbone interact. energy: 0.708
local terms energy: -83.547194
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -13.299
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: 226
Temperature: 1.300000
Total energy: -131.754725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.754725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.754725 (E_RNA)
where:
Base-Base interactions energy: -64.099
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.345
local terms energy: -67.310667
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -6.555
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -128.179391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.179391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.179391 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.436
local terms energy: -66.478428
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -0.990
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -396.699191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.699191 (E_RNA)
where:
Base-Base interactions energy: -263.554
where: short stacking energy: -139.790
Base-Backbone interact. energy: -0.353
local terms energy: -132.792268
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -40.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -356.711870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.711870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.711870 (E_RNA)
where:
Base-Base interactions energy: -241.839
where: short stacking energy: -115.904
Base-Backbone interact. energy: -1.172
local terms energy: -113.701195
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -27.104
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -336.235803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.235803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.235803 (E_RNA)
where:
Base-Base interactions energy: -216.224
where: short stacking energy: -113.565
Base-Backbone interact. energy: -2.087
local terms energy: -117.924565
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -302.305877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.305877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.305877 (E_RNA)
where:
Base-Base interactions energy: -188.541
where: short stacking energy: -106.023
Base-Backbone interact. energy: -0.466
local terms energy: -113.299151
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -23.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -262.430016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.430016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.430016 (E_RNA)
where:
Base-Base interactions energy: -164.977
where: short stacking energy: -95.571
Base-Backbone interact. energy: -0.456
local terms energy: -96.997779
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -258.362448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.362448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.362448 (E_RNA)
where:
Base-Base interactions energy: -160.062
where: short stacking energy: -93.127
Base-Backbone interact. energy: -0.716
local terms energy: -97.584085
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -255.838043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.838043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.838043 (E_RNA)
where:
Base-Base interactions energy: -156.297
where: short stacking energy: -94.624
Base-Backbone interact. energy: -0.065
local terms energy: -99.475708
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -20.849
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: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -210.649665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.649665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.649665 (E_RNA)
where:
Base-Base interactions energy: -121.603
where: short stacking energy: -71.538
Base-Backbone interact. energy: 0.127
local terms energy: -89.173624
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -14.011
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: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -140.425415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.425415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.425415 (E_RNA)
where:
Base-Base interactions energy: -57.105
where: short stacking energy: -33.054
Base-Backbone interact. energy: 0.653
local terms energy: -83.973606
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -116.510045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.510045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.510045 (E_RNA)
where:
Base-Base interactions energy: -46.649
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.058
local terms energy: -69.803322
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -349.269195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.269195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.269195 (E_RNA)
where:
Base-Base interactions energy: -239.009
where: short stacking energy: -115.717
Base-Backbone interact. energy: -0.718
local terms energy: -109.542359
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -25.498
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: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -399.231240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.231240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.231240 (E_RNA)
where:
Base-Base interactions energy: -265.011
where: short stacking energy: -143.357
Base-Backbone interact. energy: -0.015
local terms energy: -134.205402
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -41.658
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: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -338.958903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.958903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.958903 (E_RNA)
where:
Base-Base interactions energy: -221.281
where: short stacking energy: -117.907
Base-Backbone interact. energy: -0.419
local terms energy: -117.259490
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -31.023
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: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -271.471026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.471026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.471026 (E_RNA)
where:
Base-Base interactions energy: -163.903
where: short stacking energy: -92.796
Base-Backbone interact. energy: -0.791
local terms energy: -106.776628
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -22.550
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: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -267.673732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.673732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.673732 (E_RNA)
where:
Base-Base interactions energy: -169.210
where: short stacking energy: -90.711
Base-Backbone interact. energy: -0.242
local terms energy: -98.222234
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -230.020790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.020790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020790 (E_RNA)
where:
Base-Base interactions energy: -154.442
where: short stacking energy: -91.192
Base-Backbone interact. energy: 1.495
local terms energy: -77.073276
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -19.526
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: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -232.629058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.629058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.629058 (E_RNA)
where:
Base-Base interactions energy: -148.243
where: short stacking energy: -79.347
Base-Backbone interact. energy: -0.775
local terms energy: -83.610706
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -209.940201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.940201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940201 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.445
local terms energy: -78.655068
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -15.378
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: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -155.200541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.200541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.200541 (E_RNA)
where:
Base-Base interactions energy: -69.650
where: short stacking energy: -43.778
Base-Backbone interact. energy: -0.045
local terms energy: -85.504644
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -164.595578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.595578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.595578 (E_RNA)
where:
Base-Base interactions energy: -84.619
where: short stacking energy: -42.733
Base-Backbone interact. energy: -2.183
local terms energy: -77.794099
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -7.780
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: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -361.899260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.899260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.899260 (E_RNA)
where:
Base-Base interactions energy: -249.907
where: short stacking energy: -115.550
Base-Backbone interact. energy: -0.829
local terms energy: -111.163228
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -26.732
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: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -391.044708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.044708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.044708 (E_RNA)
where:
Base-Base interactions energy: -265.893
where: short stacking energy: -143.327
Base-Backbone interact. energy: -0.138
local terms energy: -125.013022
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -38.044
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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -328.625382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.625382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.625382 (E_RNA)
where:
Base-Base interactions energy: -218.443
where: short stacking energy: -113.907
Base-Backbone interact. energy: -0.719
local terms energy: -109.463459
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -28.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -265.778121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.778121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.778121 (E_RNA)
where:
Base-Base interactions energy: -160.059
where: short stacking energy: -89.326
Base-Backbone interact. energy: 0.167
local terms energy: -105.885876
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -20.310
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -257.657776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.657776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.657776 (E_RNA)
where:
Base-Base interactions energy: -161.545
where: short stacking energy: -95.529
Base-Backbone interact. energy: -0.984
local terms energy: -95.129540
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -258.476540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.476540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.476540 (E_RNA)
where:
Base-Base interactions energy: -161.411
where: short stacking energy: -97.483
Base-Backbone interact. energy: -0.343
local terms energy: -96.722811
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -18.442
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -200.486320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.486320 (E_RNA)
where:
Base-Base interactions energy: -114.488
where: short stacking energy: -72.419
Base-Backbone interact. energy: -0.119
local terms energy: -85.879056
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -7.464
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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -209.514282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.514282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.514282 (E_RNA)
where:
Base-Base interactions energy: -117.727
where: short stacking energy: -66.137
Base-Backbone interact. energy: -0.806
local terms energy: -90.981628
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -145.504471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.504471 (E_RNA)
where:
Base-Base interactions energy: -77.708
where: short stacking energy: -49.963
Base-Backbone interact. energy: 0.087
local terms energy: -67.882770
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -192.041034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.041034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.041034 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -51.426
Base-Backbone interact. energy: 0.191
local terms energy: -75.704817
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -394.057481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.057481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.057481 (E_RNA)
where:
Base-Base interactions energy: -274.782
where: short stacking energy: -140.043
Base-Backbone interact. energy: -0.110
local terms energy: -119.164949
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -37.854
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -340.859871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.859871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.859871 (E_RNA)
where:
Base-Base interactions energy: -224.611
where: short stacking energy: -106.706
Base-Backbone interact. energy: -1.582
local terms energy: -114.667055
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -352.527429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.527429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.527429 (E_RNA)
where:
Base-Base interactions energy: -236.269
where: short stacking energy: -129.013
Base-Backbone interact. energy: -0.040
local terms energy: -116.218079
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -16.928
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -278.253352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.253352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.253352 (E_RNA)
where:
Base-Base interactions energy: -166.358
where: short stacking energy: -101.482
Base-Backbone interact. energy: -0.729
local terms energy: -111.166253
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -272.938167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.938167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.938167 (E_RNA)
where:
Base-Base interactions energy: -162.474
where: short stacking energy: -88.777
Base-Backbone interact. energy: -0.197
local terms energy: -110.267552
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -243.045048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.045048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.045048 (E_RNA)
where:
Base-Base interactions energy: -146.198
where: short stacking energy: -73.739
Base-Backbone interact. energy: -0.214
local terms energy: -96.632582
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -223.248293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.248293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.248293 (E_RNA)
where:
Base-Base interactions energy: -129.926
where: short stacking energy: -88.011
Base-Backbone interact. energy: -0.273
local terms energy: -93.048962
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -26.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -220.429030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.429030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.429030 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -69.134
Base-Backbone interact. energy: 0.352
local terms energy: -88.504268
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -218.113414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113414 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.950
local terms energy: -86.595391
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -9.239
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: 230
Temperature: 1.350000
Total energy: -118.001093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.001093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.001093 (E_RNA)
where:
Base-Base interactions energy: -49.019
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.544
local terms energy: -68.438564
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -401.047098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.047098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.047098 (E_RNA)
where:
Base-Base interactions energy: -263.829
where: short stacking energy: -135.938
Base-Backbone interact. energy: -0.025
local terms energy: -137.193255
where:
bonds (distance) C4'-P energy: -26.948
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -40.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -352.961560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.961560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.961560 (E_RNA)
where:
Base-Base interactions energy: -239.836
where: short stacking energy: -119.279
Base-Backbone interact. energy: -0.997
local terms energy: -112.128350
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -345.473868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.473868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.473868 (E_RNA)
where:
Base-Base interactions energy: -229.138
where: short stacking energy: -117.199
Base-Backbone interact. energy: 0.506
local terms energy: -116.842239
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -18.942
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: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -283.696127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.696127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.696127 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -89.016
Base-Backbone interact. energy: -0.191
local terms energy: -102.891938
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -270.489487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.489487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.489487 (E_RNA)
where:
Base-Base interactions energy: -163.417
where: short stacking energy: -89.938
Base-Backbone interact. energy: -0.325
local terms energy: -106.747141
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -229.077338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.077338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.077338 (E_RNA)
where:
Base-Base interactions energy: -139.662
where: short stacking energy: -77.965
Base-Backbone interact. energy: 0.471
local terms energy: -89.886190
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -13.408
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -231.531915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.531915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.531915 (E_RNA)
where:
Base-Base interactions energy: -148.838
where: short stacking energy: -82.372
Base-Backbone interact. energy: -0.421
local terms energy: -82.273374
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -250.147150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.147150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.147150 (E_RNA)
where:
Base-Base interactions energy: -153.306
where: short stacking energy: -78.195
Base-Backbone interact. energy: -0.054
local terms energy: -96.786991
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -207.794257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.794257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.794257 (E_RNA)
where:
Base-Base interactions energy: -120.166
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.717
local terms energy: -86.911028
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -109.959680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.959680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.959680 (E_RNA)
where:
Base-Base interactions energy: -48.177
where: short stacking energy: -47.511
Base-Backbone interact. energy: -0.379
local terms energy: -61.404014
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -3.341
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: 232
Temperature: 0.900000
Total energy: -350.400269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.400269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.400269 (E_RNA)
where:
Base-Base interactions energy: -238.834
where: short stacking energy: -121.100
Base-Backbone interact. energy: -0.097
local terms energy: -111.469323
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -375.120789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.120789 (E_RNA)
where:
Base-Base interactions energy: -251.138
where: short stacking energy: -129.255
Base-Backbone interact. energy: -0.161
local terms energy: -123.822188
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -35.946
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -344.264891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.264891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.264891 (E_RNA)
where:
Base-Base interactions energy: -228.326
where: short stacking energy: -110.877
Base-Backbone interact. energy: -0.840
local terms energy: -115.099159
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -277.591816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.591816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.591816 (E_RNA)
where:
Base-Base interactions energy: -183.212
where: short stacking energy: -95.461
Base-Backbone interact. energy: -0.637
local terms energy: -93.743222
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -245.555249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.555249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.555249 (E_RNA)
where:
Base-Base interactions energy: -168.036
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.681
local terms energy: -76.838151
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -244.923554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.923554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.923554 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -87.310
Base-Backbone interact. energy: -0.384
local terms energy: -87.181373
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -253.771104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.771104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.771104 (E_RNA)
where:
Base-Base interactions energy: -161.828
where: short stacking energy: -98.668
Base-Backbone interact. energy: 0.570
local terms energy: -92.512768
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -238.150272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.150272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.150272 (E_RNA)
where:
Base-Base interactions energy: -154.168
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.145
local terms energy: -83.837161
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -226.216724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.216724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.216724 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -74.137
Base-Backbone interact. energy: -0.166
local terms energy: -88.132951
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -13.766
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: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -124.687294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.687294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.687294 (E_RNA)
where:
Base-Base interactions energy: -57.628
where: short stacking energy: -42.738
Base-Backbone interact. energy: 0.917
local terms energy: -67.976655
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -348.680204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.680204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.680204 (E_RNA)
where:
Base-Base interactions energy: -230.230
where: short stacking energy: -122.747
Base-Backbone interact. energy: 0.434
local terms energy: -118.883372
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -32.923
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: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -381.964609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.964609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.964609 (E_RNA)
where:
Base-Base interactions energy: -256.702
where: short stacking energy: -127.885
Base-Backbone interact. energy: -0.229
local terms energy: -125.033406
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -34.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -345.174704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.174704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.174704 (E_RNA)
where:
Base-Base interactions energy: -240.012
where: short stacking energy: -112.673
Base-Backbone interact. energy: -0.880
local terms energy: -104.282434
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -21.359
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: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -306.854007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.854007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.854007 (E_RNA)
where:
Base-Base interactions energy: -191.602
where: short stacking energy: -101.200
Base-Backbone interact. energy: -1.266
local terms energy: -113.986855
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -261.593880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.593880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.593880 (E_RNA)
where:
Base-Base interactions energy: -154.615
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.049
local terms energy: -106.929650
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -24.508
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: 233
Temperature: 1.150000
Total energy: -262.519043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.519043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.519043 (E_RNA)
where:
Base-Base interactions energy: -158.420
where: short stacking energy: -96.147
Base-Backbone interact. energy: 1.116
local terms energy: -105.214688
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -233.596864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.596864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.596864 (E_RNA)
where:
Base-Base interactions energy: -151.849
where: short stacking energy: -73.592
Base-Backbone interact. energy: 0.559
local terms energy: -82.307175
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -9.929
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -227.491058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.491058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.491058 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -75.062
Base-Backbone interact. energy: -0.084
local terms energy: -93.331522
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -269.988085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.988085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.988085 (E_RNA)
where:
Base-Base interactions energy: -174.189
where: short stacking energy: -89.707
Base-Backbone interact. energy: -0.124
local terms energy: -95.674974
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -13.328
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: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -148.816586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.816586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.816586 (E_RNA)
where:
Base-Base interactions energy: -75.361
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.414
local terms energy: -73.041770
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -5.797
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -394.496917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.496917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.496917 (E_RNA)
where:
Base-Base interactions energy: -263.026
where: short stacking energy: -140.625
Base-Backbone interact. energy: -0.070
local terms energy: -131.400995
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -37.989
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -347.867899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.867899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.867899 (E_RNA)
where:
Base-Base interactions energy: -230.536
where: short stacking energy: -121.234
Base-Backbone interact. energy: -2.520
local terms energy: -114.811476
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -353.497519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.497519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.497519 (E_RNA)
where:
Base-Base interactions energy: -241.387
where: short stacking energy: -110.319
Base-Backbone interact. energy: -0.561
local terms energy: -111.549265
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -309.342735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.342735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.342735 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -112.826
Base-Backbone interact. energy: 0.053
local terms energy: -110.202607
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -25.016
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: 234
Temperature: 1.100000
Total energy: -268.286400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.286400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.286400 (E_RNA)
where:
Base-Base interactions energy: -159.296
where: short stacking energy: -84.128
Base-Backbone interact. energy: 2.022
local terms energy: -111.012178
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -258.418689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.418689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.418689 (E_RNA)
where:
Base-Base interactions energy: -167.409
where: short stacking energy: -87.302
Base-Backbone interact. energy: -1.393
local terms energy: -89.616199
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -221.512889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512889 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -80.571
Base-Backbone interact. energy: -0.240
local terms energy: -94.297677
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -186.920028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.920028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.920028 (E_RNA)
where:
Base-Base interactions energy: -118.864
where: short stacking energy: -73.618
Base-Backbone interact. energy: 2.240
local terms energy: -70.296434
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -7.888
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: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -275.457894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.457894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.457894 (E_RNA)
where:
Base-Base interactions energy: -186.819
where: short stacking energy: -89.492
Base-Backbone interact. energy: -1.821
local terms energy: -86.817883
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -127.667603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.667603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.667603 (E_RNA)
where:
Base-Base interactions energy: -62.448
where: short stacking energy: -45.925
Base-Backbone interact. energy: -0.466
local terms energy: -64.753459
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.769
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: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -396.541504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.541504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.541504 (E_RNA)
where:
Base-Base interactions energy: -262.126
where: short stacking energy: -139.274
Base-Backbone interact. energy: -0.174
local terms energy: -134.242074
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -37.985
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: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -352.212750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.212750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.212750 (E_RNA)
where:
Base-Base interactions energy: -245.461
where: short stacking energy: -109.694
Base-Backbone interact. energy: -0.501
local terms energy: -106.250866
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -25.020
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: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -344.345002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.345002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.345002 (E_RNA)
where:
Base-Base interactions energy: -221.403
where: short stacking energy: -115.829
Base-Backbone interact. energy: -0.014
local terms energy: -122.927729
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -30.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -294.392127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.392127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.392127 (E_RNA)
where:
Base-Base interactions energy: -190.263
where: short stacking energy: -91.543
Base-Backbone interact. energy: -1.517
local terms energy: -102.611932
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -17.440
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -279.053264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.053264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.053264 (E_RNA)
where:
Base-Base interactions energy: -182.193
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.400
local terms energy: -96.460313
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -240.680275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.680275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.680275 (E_RNA)
where:
Base-Base interactions energy: -144.081
where: short stacking energy: -87.639
Base-Backbone interact. energy: -0.197
local terms energy: -96.402167
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -17.697
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: 235
Temperature: 1.200000
Total energy: -264.458080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.458080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.458080 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -83.695
Base-Backbone interact. energy: -0.063
local terms energy: -93.523389
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -13.885
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: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -301.931588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.931588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.931588 (E_RNA)
where:
Base-Base interactions energy: -202.306
where: short stacking energy: -94.791
Base-Backbone interact. energy: -0.465
local terms energy: -99.160410
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -22.922
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: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -178.497251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.497251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497251 (E_RNA)
where:
Base-Base interactions energy: -101.854
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.961
local terms energy: -75.682279
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -125.551642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.551642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.551642 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -44.722
Base-Backbone interact. energy: -0.234
local terms energy: -70.035718
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -404.910793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.910793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.910793 (E_RNA)
where:
Base-Base interactions energy: -267.477
where: short stacking energy: -135.813
Base-Backbone interact. energy: -0.036
local terms energy: -137.398010
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -39.478
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -360.417175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.417175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.417175 (E_RNA)
where:
Base-Base interactions energy: -254.222
where: short stacking energy: -108.296
Base-Backbone interact. energy: -0.674
local terms energy: -105.520675
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -334.046643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.046643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.046643 (E_RNA)
where:
Base-Base interactions energy: -221.755
where: short stacking energy: -114.630
Base-Backbone interact. energy: -1.099
local terms energy: -111.193267
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -301.071139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.071139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.071139 (E_RNA)
where:
Base-Base interactions energy: -199.686
where: short stacking energy: -103.981
Base-Backbone interact. energy: -2.073
local terms energy: -99.312080
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -286.141687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.141687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.141687 (E_RNA)
where:
Base-Base interactions energy: -189.761
where: short stacking energy: -108.981
Base-Backbone interact. energy: -0.656
local terms energy: -95.724976
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -249.295505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.295505 (E_RNA)
where:
Base-Base interactions energy: -152.059
where: short stacking energy: -90.618
Base-Backbone interact. energy: 0.781
local terms energy: -98.016676
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -311.546198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.546198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.546198 (E_RNA)
where:
Base-Base interactions energy: -208.122
where: short stacking energy: -102.680
Base-Backbone interact. energy: -0.759
local terms energy: -102.665234
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -24.828
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -214.894155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.894155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.894155 (E_RNA)
where:
Base-Base interactions energy: -133.976
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.193
local terms energy: -80.725234
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -164.172505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.172505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.172505 (E_RNA)
where:
Base-Base interactions energy: -77.192
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.089
local terms energy: -86.891712
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -176.901820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.901820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.901820 (E_RNA)
where:
Base-Base interactions energy: -107.577
where: short stacking energy: -62.541
Base-Backbone interact. energy: 1.693
local terms energy: -71.017983
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -405.889470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.889470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.889470 (E_RNA)
where:
Base-Base interactions energy: -273.740
where: short stacking energy: -145.988
Base-Backbone interact. energy: -0.187
local terms energy: -131.962410
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -41.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -360.087502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.087502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.087502 (E_RNA)
where:
Base-Base interactions energy: -241.973
where: short stacking energy: -111.789
Base-Backbone interact. energy: -1.067
local terms energy: -117.047595
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -22.295
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -331.011253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.011253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.011253 (E_RNA)
where:
Base-Base interactions energy: -219.592
where: short stacking energy: -115.714
Base-Backbone interact. energy: -0.000
local terms energy: -111.419094
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -26.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -304.963778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.963778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.963778 (E_RNA)
where:
Base-Base interactions energy: -208.816
where: short stacking energy: -102.033
Base-Backbone interact. energy: -0.403
local terms energy: -95.745541
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -253.545682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.545682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.545682 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -90.311
Base-Backbone interact. energy: -0.036
local terms energy: -95.471382
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -20.849
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: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -304.613163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.613163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.613163 (E_RNA)
where:
Base-Base interactions energy: -203.649
where: short stacking energy: -93.059
Base-Backbone interact. energy: 0.917
local terms energy: -101.881378
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -222.382451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.382451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.382451 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -78.148
Base-Backbone interact. energy: -0.727
local terms energy: -88.908505
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -218.976460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976460 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.776
local terms energy: -88.534336
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -11.315
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: 237
Temperature: 1.300000
Total energy: -145.769891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.769891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.769891 (E_RNA)
where:
Base-Base interactions energy: -70.134
where: short stacking energy: -41.580
Base-Backbone interact. energy: 1.335
local terms energy: -76.971456
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -183.201935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.201935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.201935 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.377
local terms energy: -79.211920
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -399.456430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.456430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.456430 (E_RNA)
where:
Base-Base interactions energy: -273.674
where: short stacking energy: -145.826
Base-Backbone interact. energy: -0.039
local terms energy: -125.742963
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -40.726
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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -352.394232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.394232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.394232 (E_RNA)
where:
Base-Base interactions energy: -240.990
where: short stacking energy: -109.865
Base-Backbone interact. energy: 0.276
local terms energy: -111.680288
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -21.719
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: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -324.307165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.307165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.307165 (E_RNA)
where:
Base-Base interactions energy: -219.246
where: short stacking energy: -113.610
Base-Backbone interact. energy: -0.742
local terms energy: -104.319377
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -26.879
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: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -299.424679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.424679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.424679 (E_RNA)
where:
Base-Base interactions energy: -204.631
where: short stacking energy: -111.967
Base-Backbone interact. energy: -0.529
local terms energy: -94.264376
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -338.894623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.894623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.894623 (E_RNA)
where:
Base-Base interactions energy: -217.375
where: short stacking energy: -113.666
Base-Backbone interact. energy: -0.116
local terms energy: -121.403944
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -239.868427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.868427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.868427 (E_RNA)
where:
Base-Base interactions energy: -146.871
where: short stacking energy: -92.042
Base-Backbone interact. energy: -0.228
local terms energy: -92.769696
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -20.181
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: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -220.298050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.298050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.298050 (E_RNA)
where:
Base-Base interactions energy: -131.341
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.300
local terms energy: -88.657584
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -225.224728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224728 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -75.552
Base-Backbone interact. energy: -0.267
local terms energy: -97.139821
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -207.486336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.486336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486336 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.670
local terms energy: -81.126314
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -132.549686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.549686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.549686 (E_RNA)
where:
Base-Base interactions energy: -65.573
where: short stacking energy: -42.685
Base-Backbone interact. energy: 2.446
local terms energy: -69.423309
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: 2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -387.286205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.286205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.286205 (E_RNA)
where:
Base-Base interactions energy: -254.176
where: short stacking energy: -139.144
Base-Backbone interact. energy: -0.064
local terms energy: -133.046901
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -37.606
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -345.900876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.900876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.900876 (E_RNA)
where:
Base-Base interactions energy: -226.228
where: short stacking energy: -115.672
Base-Backbone interact. energy: -1.196
local terms energy: -118.477471
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -17.137
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -341.772251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.772251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.772251 (E_RNA)
where:
Base-Base interactions energy: -225.802
where: short stacking energy: -100.500
Base-Backbone interact. energy: 0.381
local terms energy: -116.350859
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -351.867513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.867513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.867513 (E_RNA)
where:
Base-Base interactions energy: -234.012
where: short stacking energy: -130.392
Base-Backbone interact. energy: -0.249
local terms energy: -117.606628
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -13.558
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: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -294.839033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.839033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.839033 (E_RNA)
where:
Base-Base interactions energy: -194.288
where: short stacking energy: -91.340
Base-Backbone interact. energy: -0.439
local terms energy: -100.112319
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -234.050867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.050867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.050867 (E_RNA)
where:
Base-Base interactions energy: -140.327
where: short stacking energy: -83.667
Base-Backbone interact. energy: -0.442
local terms energy: -93.281579
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -217.727146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.727146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.727146 (E_RNA)
where:
Base-Base interactions energy: -134.456
where: short stacking energy: -69.749
Base-Backbone interact. energy: 0.866
local terms energy: -84.137381
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -215.391127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.391127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.391127 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -75.607
Base-Backbone interact. energy: -1.447
local terms energy: -78.801636
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -14.604
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: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -199.573820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.573820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.573820 (E_RNA)
where:
Base-Base interactions energy: -116.569
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.502
local terms energy: -82.503036
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -0.559
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -139.816921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.816921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.816921 (E_RNA)
where:
Base-Base interactions energy: -60.549
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.108
local terms energy: -79.159739
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -377.623888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.623888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.623888 (E_RNA)
where:
Base-Base interactions energy: -250.900
where: short stacking energy: -137.801
Base-Backbone interact. energy: 0.300
local terms energy: -127.023915
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -34.476
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -336.009117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.009117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.009117 (E_RNA)
where:
Base-Base interactions energy: -218.864
where: short stacking energy: -121.101
Base-Backbone interact. energy: -0.093
local terms energy: -117.051680
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -28.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -344.040284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.040284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.040284 (E_RNA)
where:
Base-Base interactions energy: -222.621
where: short stacking energy: -113.786
Base-Backbone interact. energy: -0.381
local terms energy: -121.038446
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -342.686453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.686453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.686453 (E_RNA)
where:
Base-Base interactions energy: -241.219
where: short stacking energy: -99.102
Base-Backbone interact. energy: 0.352
local terms energy: -101.819460
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -291.096023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.096023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.096023 (E_RNA)
where:
Base-Base interactions energy: -197.602
where: short stacking energy: -90.903
Base-Backbone interact. energy: -2.412
local terms energy: -91.082167
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -11.203
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: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -259.761080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.761080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.761080 (E_RNA)
where:
Base-Base interactions energy: -165.274
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.171
local terms energy: -94.315306
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -227.065533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.065533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.065533 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -79.027
Base-Backbone interact. energy: -0.136
local terms energy: -87.700828
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -17.028
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: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -238.048298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.048298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.048298 (E_RNA)
where:
Base-Base interactions energy: -137.887
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.438
local terms energy: -99.722920
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -21.293
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: 240
Temperature: 1.300000
Total energy: -139.372257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.372257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.372257 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -59.910
Base-Backbone interact. energy: 0.968
local terms energy: -78.299438
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -171.642450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.642450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.642450 (E_RNA)
where:
Base-Base interactions energy: -91.970
where: short stacking energy: -51.880
Base-Backbone interact. energy: 2.059
local terms energy: -81.731902
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -378.274152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.274152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.274152 (E_RNA)
where:
Base-Base interactions energy: -244.629
where: short stacking energy: -130.550
Base-Backbone interact. energy: -0.096
local terms energy: -133.549057
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -36.924
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: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -338.911232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.911232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.911232 (E_RNA)
where:
Base-Base interactions energy: -220.820
where: short stacking energy: -112.412
Base-Backbone interact. energy: -0.847
local terms energy: -117.244918
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -28.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -342.560162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.560162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.560162 (E_RNA)
where:
Base-Base interactions energy: -226.775
where: short stacking energy: -131.561
Base-Backbone interact. energy: -1.293
local terms energy: -114.492232
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -31.313
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: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -313.391886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.391886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.391886 (E_RNA)
where:
Base-Base interactions energy: -208.407
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.110
local terms energy: -104.875109
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -331.817479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.817479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.817479 (E_RNA)
where:
Base-Base interactions energy: -229.361
where: short stacking energy: -104.733
Base-Backbone interact. energy: -0.513
local terms energy: -101.943497
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -245.000270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.000270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.000270 (E_RNA)
where:
Base-Base interactions energy: -153.634
where: short stacking energy: -78.938
Base-Backbone interact. energy: -0.036
local terms energy: -91.330296
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -228.883311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.883311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.883311 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -78.404
Base-Backbone interact. energy: -1.046
local terms energy: -84.218532
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -223.483625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483625 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.499
local terms energy: -85.161943
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.123
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: 241
Temperature: 1.300000
Total energy: -144.637208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.637208 (E_RNA)
where:
Base-Base interactions energy: -70.660
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.920
local terms energy: -73.057519
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -164.233365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.233365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.233365 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.116
local terms energy: -74.316215
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -9.554
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -370.444158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.444158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.444158 (E_RNA)
where:
Base-Base interactions energy: -246.802
where: short stacking energy: -115.193
Base-Backbone interact. energy: -0.962
local terms energy: -122.680737
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -32.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -350.250169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.250169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.250169 (E_RNA)
where:
Base-Base interactions energy: -232.346
where: short stacking energy: -119.937
Base-Backbone interact. energy: -0.494
local terms energy: -117.410542
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -30.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -322.915907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.915907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.915907 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -100.126
Base-Backbone interact. energy: -1.109
local terms energy: -99.437938
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -342.282842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.282842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.282842 (E_RNA)
where:
Base-Base interactions energy: -221.287
where: short stacking energy: -125.101
Base-Backbone interact. energy: -0.001
local terms energy: -120.994835
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -29.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -336.801180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.801180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.801180 (E_RNA)
where:
Base-Base interactions energy: -230.145
where: short stacking energy: -113.990
Base-Backbone interact. energy: -0.983
local terms energy: -105.673051
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -237.708987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.708987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.708987 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -92.017
Base-Backbone interact. energy: -0.162
local terms energy: -103.318173
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -229.817773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.817773 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -79.319
Base-Backbone interact. energy: 0.566
local terms energy: -93.947292
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -198.984205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.984205 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.523
local terms energy: -81.890393
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -173.470539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.470539 (E_RNA)
where:
Base-Base interactions energy: -94.835
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.690
local terms energy: -77.944626
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -121.297351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.297351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.297351 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.207
local terms energy: -74.758952
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -3.926
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: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -359.352202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.352202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.352202 (E_RNA)
where:
Base-Base interactions energy: -232.029
where: short stacking energy: -121.079
Base-Backbone interact. energy: -0.340
local terms energy: -126.983157
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -344.883610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.883610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.883610 (E_RNA)
where:
Base-Base interactions energy: -224.741
where: short stacking energy: -113.939
Base-Backbone interact. energy: -0.440
local terms energy: -119.703103
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -332.011177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.011177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.011177 (E_RNA)
where:
Base-Base interactions energy: -216.923
where: short stacking energy: -107.301
Base-Backbone interact. energy: -0.752
local terms energy: -114.336471
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -343.463635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.463635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.463635 (E_RNA)
where:
Base-Base interactions energy: -230.640
where: short stacking energy: -107.664
Base-Backbone interact. energy: 1.083
local terms energy: -113.906317
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -29.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -307.198428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.198428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.198428 (E_RNA)
where:
Base-Base interactions energy: -205.790
where: short stacking energy: -105.158
Base-Backbone interact. energy: -0.353
local terms energy: -101.055772
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -24.300
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: 243
Temperature: 1.150000
Total energy: -263.792858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.792858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.792858 (E_RNA)
where:
Base-Base interactions energy: -177.371
where: short stacking energy: -94.243
Base-Backbone interact. energy: 0.016
local terms energy: -86.438164
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -22.690
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: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -224.734257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.734257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.734257 (E_RNA)
where:
Base-Base interactions energy: -135.643
where: short stacking energy: -76.404
Base-Backbone interact. energy: -0.396
local terms energy: -88.695357
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -13.200
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: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -141.196083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.196083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.196083 (E_RNA)
where:
Base-Base interactions energy: -54.298
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.481
local terms energy: -86.417997
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -201.722874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.722874 (E_RNA)
where:
Base-Base interactions energy: -117.217
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.129
local terms energy: -84.376378
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -130.556103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.556103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.556103 (E_RNA)
where:
Base-Base interactions energy: -64.938
where: short stacking energy: -41.565
Base-Backbone interact. energy: -1.441
local terms energy: -64.176955
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -358.392728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.392728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.392728 (E_RNA)
where:
Base-Base interactions energy: -228.734
where: short stacking energy: -123.277
Base-Backbone interact. energy: -0.014
local terms energy: -129.644829
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -34.691
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: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -340.574537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.574537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.574537 (E_RNA)
where:
Base-Base interactions energy: -236.034
where: short stacking energy: -115.637
Base-Backbone interact. energy: -0.961
local terms energy: -103.579280
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -328.377279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.377279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.377279 (E_RNA)
where:
Base-Base interactions energy: -216.020
where: short stacking energy: -112.748
Base-Backbone interact. energy: -0.635
local terms energy: -111.722508
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -25.176
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -333.404438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.404438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.404438 (E_RNA)
where:
Base-Base interactions energy: -222.663
where: short stacking energy: -107.683
Base-Backbone interact. energy: -0.409
local terms energy: -110.332572
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -23.631
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: 244
Temperature: 1.100000
Total energy: -310.085695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.085695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.085695 (E_RNA)
where:
Base-Base interactions energy: -204.095
where: short stacking energy: -106.282
Base-Backbone interact. energy: 0.065
local terms energy: -106.055461
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -28.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -303.755794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.755794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.755794 (E_RNA)
where:
Base-Base interactions energy: -200.338
where: short stacking energy: -108.011
Base-Backbone interact. energy: -0.257
local terms energy: -103.160984
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -32.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -228.318110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.318110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.318110 (E_RNA)
where:
Base-Base interactions energy: -141.177
where: short stacking energy: -78.528
Base-Backbone interact. energy: -0.283
local terms energy: -86.857750
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -12.627
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: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -179.690463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.690463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.690463 (E_RNA)
where:
Base-Base interactions energy: -95.750
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.433
local terms energy: -83.507082
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -8.144
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: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -202.878174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.878174 (E_RNA)
where:
Base-Base interactions energy: -116.660
where: short stacking energy: -53.487
Base-Backbone interact. energy: 0.522
local terms energy: -86.740705
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -125.945694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.945694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.945694 (E_RNA)
where:
Base-Base interactions energy: -58.237
where: short stacking energy: -57.663
Base-Backbone interact. energy: -0.367
local terms energy: -67.342481
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -371.387834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.387834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.387834 (E_RNA)
where:
Base-Base interactions energy: -247.382
where: short stacking energy: -133.030
Base-Backbone interact. energy: -0.124
local terms energy: -123.881086
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -31.309
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -335.563332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.563332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.563332 (E_RNA)
where:
Base-Base interactions energy: -220.754
where: short stacking energy: -120.864
Base-Backbone interact. energy: -0.009
local terms energy: -114.799716
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -334.706610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.706610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.706610 (E_RNA)
where:
Base-Base interactions energy: -225.496
where: short stacking energy: -115.015
Base-Backbone interact. energy: 1.019
local terms energy: -110.228923
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -328.498838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.498838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.498838 (E_RNA)
where:
Base-Base interactions energy: -212.860
where: short stacking energy: -103.824
Base-Backbone interact. energy: -0.095
local terms energy: -115.543660
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -26.588
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: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -333.316044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.316044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.316044 (E_RNA)
where:
Base-Base interactions energy: -232.792
where: short stacking energy: -103.956
Base-Backbone interact. energy: 0.938
local terms energy: -101.461663
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -309.182312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.182312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.182312 (E_RNA)
where:
Base-Base interactions energy: -206.652
where: short stacking energy: -106.443
Base-Backbone interact. energy: -0.184
local terms energy: -102.345714
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -218.033537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033537 (E_RNA)
where:
Base-Base interactions energy: -127.428
where: short stacking energy: -77.280
Base-Backbone interact. energy: -0.507
local terms energy: -90.099181
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -235.606177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.606177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.606177 (E_RNA)
where:
Base-Base interactions energy: -140.035
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.446
local terms energy: -95.125990
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -171.493098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.493098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.493098 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.243
local terms energy: -78.205338
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -128.807046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.807046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.807046 (E_RNA)
where:
Base-Base interactions energy: -57.496
where: short stacking energy: -48.689
Base-Backbone interact. energy: 0.322
local terms energy: -71.633100
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -377.942411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.942411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.942411 (E_RNA)
where:
Base-Base interactions energy: -252.489
where: short stacking energy: -136.940
Base-Backbone interact. energy: 2.024
local terms energy: -127.477884
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -37.326
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -335.092678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.092678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.092678 (E_RNA)
where:
Base-Base interactions energy: -214.921
where: short stacking energy: -118.381
Base-Backbone interact. energy: -0.301
local terms energy: -119.871513
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -26.979
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: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -345.525373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.525373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.525373 (E_RNA)
where:
Base-Base interactions energy: -239.525
where: short stacking energy: -129.492
Base-Backbone interact. energy: 1.894
local terms energy: -107.894296
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -339.690859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.690859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.690859 (E_RNA)
where:
Base-Base interactions energy: -231.415
where: short stacking energy: -124.805
Base-Backbone interact. energy: -0.178
local terms energy: -108.097078
where:
bonds (distance) C4'-P energy: -20.594
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -293.532972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.532972 (E_RNA)
where:
Base-Base interactions energy: -201.333
where: short stacking energy: -98.564
Base-Backbone interact. energy: 0.421
local terms energy: -92.621517
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -328.809764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.809764 (E_RNA)
where:
Base-Base interactions energy: -214.121
where: short stacking energy: -114.615
Base-Backbone interact. energy: -0.936
local terms energy: -113.752668
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -29.989
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: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -261.972289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.972289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.972289 (E_RNA)
where:
Base-Base interactions energy: -163.726
where: short stacking energy: -87.204
Base-Backbone interact. energy: -0.786
local terms energy: -97.459805
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -26.653
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: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -230.433272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.433272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.433272 (E_RNA)
where:
Base-Base interactions energy: -148.254
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.875
local terms energy: -81.304038
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -169.800658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.800658 (E_RNA)
where:
Base-Base interactions energy: -87.158
where: short stacking energy: -57.999
Base-Backbone interact. energy: 0.713
local terms energy: -83.355558
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -7.443
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: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -136.932343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.932343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.932343 (E_RNA)
where:
Base-Base interactions energy: -62.966
where: short stacking energy: -35.186
Base-Backbone interact. energy: -0.652
local terms energy: -73.313647
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -388.750960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.750960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.750960 (E_RNA)
where:
Base-Base interactions energy: -265.063
where: short stacking energy: -140.618
Base-Backbone interact. energy: 0.091
local terms energy: -123.779341
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -33.199
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -350.586754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.586754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.586754 (E_RNA)
where:
Base-Base interactions energy: -236.221
where: short stacking energy: -126.590
Base-Backbone interact. energy: -0.536
local terms energy: -113.829414
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -334.437041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.437041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.437041 (E_RNA)
where:
Base-Base interactions energy: -216.840
where: short stacking energy: -107.889
Base-Backbone interact. energy: -0.452
local terms energy: -117.145167
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -22.887
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: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -361.860239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.860239 (E_RNA)
where:
Base-Base interactions energy: -249.357
where: short stacking energy: -126.745
Base-Backbone interact. energy: -0.881
local terms energy: -111.623164
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -331.094501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.094501 (E_RNA)
where:
Base-Base interactions energy: -221.864
where: short stacking energy: -115.786
Base-Backbone interact. energy: -1.620
local terms energy: -107.610567
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -26.078
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: 247
Temperature: 1.150000
Total energy: -344.379946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.379946 (E_RNA)
where:
Base-Base interactions energy: -225.749
where: short stacking energy: -116.322
Base-Backbone interact. energy: -0.069
local terms energy: -118.562029
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -35.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -229.382524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.382524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.382524 (E_RNA)
where:
Base-Base interactions energy: -139.135
where: short stacking energy: -74.429
Base-Backbone interact. energy: 0.020
local terms energy: -90.267834
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -212.841714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.841714 (E_RNA)
where:
Base-Base interactions energy: -135.046
where: short stacking energy: -62.114
Base-Backbone interact. energy: -1.340
local terms energy: -76.455893
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -191.466024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.466024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.466024 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.371
local terms energy: -97.603684
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -126.043344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.043344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.043344 (E_RNA)
where:
Base-Base interactions energy: -59.633
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.462
local terms energy: -65.948865
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -383.569692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.569692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.569692 (E_RNA)
where:
Base-Base interactions energy: -254.502
where: short stacking energy: -135.099
Base-Backbone interact. energy: 0.074
local terms energy: -129.142200
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -360.666291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.666291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.666291 (E_RNA)
where:
Base-Base interactions energy: -253.088
where: short stacking energy: -121.215
Base-Backbone interact. energy: -0.148
local terms energy: -107.429654
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -27.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -353.133025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.133025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.133025 (E_RNA)
where:
Base-Base interactions energy: -234.866
where: short stacking energy: -126.139
Base-Backbone interact. energy: -0.311
local terms energy: -117.956054
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -324.487735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.487735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.487735 (E_RNA)
where:
Base-Base interactions energy: -208.149
where: short stacking energy: -104.057
Base-Backbone interact. energy: -0.179
local terms energy: -116.160215
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -27.153
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: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -308.498876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.498876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.498876 (E_RNA)
where:
Base-Base interactions energy: -200.270
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.165
local terms energy: -108.063565
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -306.930381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.930381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.930381 (E_RNA)
where:
Base-Base interactions energy: -207.318
where: short stacking energy: -98.406
Base-Backbone interact. energy: -1.692
local terms energy: -97.920399
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -223.544396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.544396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.544396 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -92.121
Base-Backbone interact. energy: -0.133
local terms energy: -80.226782
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -223.359975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.359975 (E_RNA)
where:
Base-Base interactions energy: -123.752
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.013
local terms energy: -99.594800
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -133.275935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.275935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.275935 (E_RNA)
where:
Base-Base interactions energy: -61.773
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.616
local terms energy: -70.886517
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -10.941
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: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -142.464968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.464968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.464968 (E_RNA)
where:
Base-Base interactions energy: -71.055
where: short stacking energy: -54.431
Base-Backbone interact. energy: 0.832
local terms energy: -72.242757
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -383.009455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.009455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.009455 (E_RNA)
where:
Base-Base interactions energy: -254.208
where: short stacking energy: -136.279
Base-Backbone interact. energy: -0.169
local terms energy: -128.632699
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -35.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -380.578007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.578007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.578007 (E_RNA)
where:
Base-Base interactions energy: -247.306
where: short stacking energy: -128.340
Base-Backbone interact. energy: -0.204
local terms energy: -133.068827
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -35.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -370.530729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.530729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.530729 (E_RNA)
where:
Base-Base interactions energy: -250.813
where: short stacking energy: -121.525
Base-Backbone interact. energy: -0.362
local terms energy: -119.356122
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -29.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -338.062521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.062521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.062521 (E_RNA)
where:
Base-Base interactions energy: -213.812
where: short stacking energy: -118.385
Base-Backbone interact. energy: -0.226
local terms energy: -124.023963
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -34.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -309.618682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.618682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.618682 (E_RNA)
where:
Base-Base interactions energy: -203.564
where: short stacking energy: -110.242
Base-Backbone interact. energy: -0.378
local terms energy: -105.676675
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -22.771
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: 249
Temperature: 1.150000
Total energy: -310.416128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.416128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.416128 (E_RNA)
where:
Base-Base interactions energy: -212.497
where: short stacking energy: -103.586
Base-Backbone interact. energy: 0.889
local terms energy: -98.807398
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -217.852753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852753 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -75.783
Base-Backbone interact. energy: -0.248
local terms energy: -86.110116
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -11.381
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: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -191.803127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.803127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.803127 (E_RNA)
where:
Base-Base interactions energy: -109.190
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.149
local terms energy: -82.464132
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -4.992
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: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -134.957958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.957958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.957958 (E_RNA)
where:
Base-Base interactions energy: -58.188
where: short stacking energy: -45.263
Base-Backbone interact. energy: 0.348
local terms energy: -77.118291
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -128.254220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.254220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.254220 (E_RNA)
where:
Base-Base interactions energy: -55.338
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.190
local terms energy: -72.725295
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -4.555
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: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -385.956881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.956881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.956881 (E_RNA)
where:
Base-Base interactions energy: -257.134
where: short stacking energy: -142.413
Base-Backbone interact. energy: -0.003
local terms energy: -128.819667
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -36.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -371.828365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.828365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.828365 (E_RNA)
where:
Base-Base interactions energy: -249.073
where: short stacking energy: -127.897
Base-Backbone interact. energy: -0.008
local terms energy: -122.747351
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -33.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -324.498714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.498714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.498714 (E_RNA)
where:
Base-Base interactions energy: -217.098
where: short stacking energy: -112.699
Base-Backbone interact. energy: 1.930
local terms energy: -109.331178
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -28.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -358.075009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.075009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.075009 (E_RNA)
where:
Base-Base interactions energy: -243.472
where: short stacking energy: -120.712
Base-Backbone interact. energy: -0.347
local terms energy: -114.256165
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -27.521
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: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -312.264266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.264266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.264266 (E_RNA)
where:
Base-Base interactions energy: -201.364
where: short stacking energy: -98.903
Base-Backbone interact. energy: -0.269
local terms energy: -110.631925
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -29.610
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: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -316.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.753337 (E_RNA)
where:
Base-Base interactions energy: -216.972
where: short stacking energy: -101.122
Base-Backbone interact. energy: -1.210
local terms energy: -98.571930
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -24.287
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: 250
Temperature: 1.200000
Total energy: -228.009437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.009437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.009437 (E_RNA)
where:
Base-Base interactions energy: -132.878
where: short stacking energy: -81.036
Base-Backbone interact. energy: -0.445
local terms energy: -94.686240
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -228.723503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.723503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.723503 (E_RNA)
where:
Base-Base interactions energy: -139.620
where: short stacking energy: -81.103
Base-Backbone interact. energy: 1.078
local terms energy: -90.180797
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -20.477
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -122.621726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.621726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.621726 (E_RNA)
where:
Base-Base interactions energy: -62.784
where: short stacking energy: -48.927
Base-Backbone interact. energy: 0.519
local terms energy: -60.356996
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -120.958086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.958086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.958086 (E_RNA)
where:
Base-Base interactions energy: -55.540
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.389
local terms energy: -65.029128
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -2.945
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: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -400.942695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.942695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.942695 (E_RNA)
where:
Base-Base interactions energy: -267.200
where: short stacking energy: -139.195
Base-Backbone interact. energy: -0.093
local terms energy: -133.649418
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -40.305
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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -360.968807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.968807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.968807 (E_RNA)
where:
Base-Base interactions energy: -236.840
where: short stacking energy: -126.424
Base-Backbone interact. energy: -0.036
local terms energy: -124.093492
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -31.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -345.727306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.727306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.727306 (E_RNA)
where:
Base-Base interactions energy: -235.701
where: short stacking energy: -123.921
Base-Backbone interact. energy: -1.290
local terms energy: -108.735640
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -353.001306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.001306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.001306 (E_RNA)
where:
Base-Base interactions energy: -238.002
where: short stacking energy: -114.612
Base-Backbone interact. energy: -0.488
local terms energy: -114.510594
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -33.034
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: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -329.537515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.537515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.537515 (E_RNA)
where:
Base-Base interactions energy: -212.504
where: short stacking energy: -115.179
Base-Backbone interact. energy: -0.856
local terms energy: -116.177767
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -29.495
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: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -300.673355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.673355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.673355 (E_RNA)
where:
Base-Base interactions energy: -199.255
where: short stacking energy: -95.369
Base-Backbone interact. energy: -1.243
local terms energy: -100.175557
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -222.740409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740409 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -73.974
Base-Backbone interact. energy: -0.040
local terms energy: -96.703498
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -217.442490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.442490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.442490 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -74.522
Base-Backbone interact. energy: -0.883
local terms energy: -77.092843
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -140.549852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.549852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.549852 (E_RNA)
where:
Base-Base interactions energy: -62.884
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.159
local terms energy: -77.507335
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -10.859
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: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -113.659024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.659024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.659024 (E_RNA)
where:
Base-Base interactions energy: -50.059
where: short stacking energy: -41.519
Base-Backbone interact. energy: -1.645
local terms energy: -61.954768
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: 5.051
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: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -361.650109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.650109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.650109 (E_RNA)
where:
Base-Base interactions energy: -240.120
where: short stacking energy: -128.813
Base-Backbone interact. energy: -0.430
local terms energy: -121.100514
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -390.447247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.447247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.447247 (E_RNA)
where:
Base-Base interactions energy: -256.479
where: short stacking energy: -133.633
Base-Backbone interact. energy: -0.016
local terms energy: -133.952497
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -345.837762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.837762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.837762 (E_RNA)
where:
Base-Base interactions energy: -232.490
where: short stacking energy: -107.480
Base-Backbone interact. energy: -0.977
local terms energy: -112.371003
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -29.582
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -342.340196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.340196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.340196 (E_RNA)
where:
Base-Base interactions energy: -226.004
where: short stacking energy: -111.511
Base-Backbone interact. energy: -0.219
local terms energy: -116.118071
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -26.714
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -24.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -307.252398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.252398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.252398 (E_RNA)
where:
Base-Base interactions energy: -213.947
where: short stacking energy: -102.843
Base-Backbone interact. energy: 2.805
local terms energy: -96.110881
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -299.268590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.268590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.268590 (E_RNA)
where:
Base-Base interactions energy: -204.581
where: short stacking energy: -101.260
Base-Backbone interact. energy: 1.138
local terms energy: -95.825924
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -213.947970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.947970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.947970 (E_RNA)
where:
Base-Base interactions energy: -124.379
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.583
local terms energy: -88.985489
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -14.139
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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -210.907445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.907445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907445 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -71.970
Base-Backbone interact. energy: -0.694
local terms energy: -90.015722
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -10.854
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -125.707366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.707366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.707366 (E_RNA)
where:
Base-Base interactions energy: -51.531
where: short stacking energy: -43.097
Base-Backbone interact. energy: -0.068
local terms energy: -74.108658
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: 0.092
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -121.039383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.039383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.039383 (E_RNA)
where:
Base-Base interactions energy: -52.918
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.425
local terms energy: -67.697017
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -355.180162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.180162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.180162 (E_RNA)
where:
Base-Base interactions energy: -241.072
where: short stacking energy: -126.140
Base-Backbone interact. energy: -0.002
local terms energy: -114.106247
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -29.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -357.630982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.630982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.630982 (E_RNA)
where:
Base-Base interactions energy: -236.450
where: short stacking energy: -113.034
Base-Backbone interact. energy: -0.492
local terms energy: -120.689342
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -25.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -345.052147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.052147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.052147 (E_RNA)
where:
Base-Base interactions energy: -231.169
where: short stacking energy: -113.283
Base-Backbone interact. energy: 0.069
local terms energy: -113.951659
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -26.096
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: 253
Temperature: 1.050000
Total energy: -313.693365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.693365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.693365 (E_RNA)
where:
Base-Base interactions energy: -199.271
where: short stacking energy: -109.144
Base-Backbone interact. energy: -0.567
local terms energy: -113.855470
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -25.518
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: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -304.307849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.307849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.307849 (E_RNA)
where:
Base-Base interactions energy: -204.635
where: short stacking energy: -101.150
Base-Backbone interact. energy: -0.173
local terms energy: -99.499843
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -283.252577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.252577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.252577 (E_RNA)
where:
Base-Base interactions energy: -195.642
where: short stacking energy: -88.171
Base-Backbone interact. energy: -0.757
local terms energy: -86.853692
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -217.664550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.664550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.664550 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -81.450
Base-Backbone interact. energy: 0.288
local terms energy: -87.420237
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -153.848562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.848562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.848562 (E_RNA)
where:
Base-Base interactions energy: -72.657
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.991
local terms energy: -80.200302
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -198.659839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.659839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.659839 (E_RNA)
where:
Base-Base interactions energy: -110.241
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.062
local terms energy: -88.356566
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -12.978
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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -115.472894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.472894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.472894 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.299
local terms energy: -69.948413
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -349.746573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.746573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.746573 (E_RNA)
where:
Base-Base interactions energy: -223.880
where: short stacking energy: -109.126
Base-Backbone interact. energy: -0.024
local terms energy: -125.842702
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -349.923286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.923286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.923286 (E_RNA)
where:
Base-Base interactions energy: -232.778
where: short stacking energy: -107.042
Base-Backbone interact. energy: -1.935
local terms energy: -115.210033
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -25.932
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -330.068532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.068532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.068532 (E_RNA)
where:
Base-Base interactions energy: -212.930
where: short stacking energy: -103.790
Base-Backbone interact. energy: 0.152
local terms energy: -117.290450
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -22.053
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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -320.809208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.809208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.809208 (E_RNA)
where:
Base-Base interactions energy: -214.791
where: short stacking energy: -116.122
Base-Backbone interact. energy: -0.217
local terms energy: -105.801636
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -26.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -316.886863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.886863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.886863 (E_RNA)
where:
Base-Base interactions energy: -208.821
where: short stacking energy: -104.740
Base-Backbone interact. energy: 1.106
local terms energy: -109.171331
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -253.187358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.187358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.187358 (E_RNA)
where:
Base-Base interactions energy: -169.814
where: short stacking energy: -99.221
Base-Backbone interact. energy: -1.254
local terms energy: -82.120152
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.567
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: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -226.553168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.553168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.553168 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -86.889
Base-Backbone interact. energy: -0.271
local terms energy: -87.888413
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -148.789637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.789637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.789637 (E_RNA)
where:
Base-Base interactions energy: -64.186
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.344
local terms energy: -84.259889
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -10.006
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -201.168571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168571 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.328
local terms energy: -84.804554
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -8.435
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: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -136.621634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.621634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.621634 (E_RNA)
where:
Base-Base interactions energy: -49.350
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.190
local terms energy: -87.081424
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -368.180816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.180816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.180816 (E_RNA)
where:
Base-Base interactions energy: -243.417
where: short stacking energy: -133.952
Base-Backbone interact. energy: -0.001
local terms energy: -124.763532
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -34.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -356.187895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.187895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.187895 (E_RNA)
where:
Base-Base interactions energy: -238.217
where: short stacking energy: -116.827
Base-Backbone interact. energy: -1.681
local terms energy: -116.289971
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -29.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -318.309629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.309629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.309629 (E_RNA)
where:
Base-Base interactions energy: -215.434
where: short stacking energy: -115.186
Base-Backbone interact. energy: -1.146
local terms energy: -101.729445
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -315.542107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.542107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.542107 (E_RNA)
where:
Base-Base interactions energy: -211.952
where: short stacking energy: -113.316
Base-Backbone interact. energy: -0.079
local terms energy: -103.511040
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -320.125379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.125379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.125379 (E_RNA)
where:
Base-Base interactions energy: -206.045
where: short stacking energy: -97.822
Base-Backbone interact. energy: -0.545
local terms energy: -113.536277
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -244.924640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.924640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.924640 (E_RNA)
where:
Base-Base interactions energy: -150.595
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.222
local terms energy: -94.107548
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -22.017
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -213.819690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.819690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.819690 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.053
local terms energy: -84.414169
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -212.480845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480845 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.801
local terms energy: -94.045774
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -137.584039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.584039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.584039 (E_RNA)
where:
Base-Base interactions energy: -57.178
where: short stacking energy: -42.275
Base-Backbone interact. energy: 0.516
local terms energy: -80.921718
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -123.229289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.229289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.229289 (E_RNA)
where:
Base-Base interactions energy: -53.265
where: short stacking energy: -52.129
Base-Backbone interact. energy: -0.685
local terms energy: -69.279979
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -362.732462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.732462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.732462 (E_RNA)
where:
Base-Base interactions energy: -239.253
where: short stacking energy: -108.049
Base-Backbone interact. energy: -1.312
local terms energy: -122.168321
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -379.324214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.324214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.324214 (E_RNA)
where:
Base-Base interactions energy: -248.650
where: short stacking energy: -130.100
Base-Backbone interact. energy: -0.057
local terms energy: -130.617686
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -34.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -326.211628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.211628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.211628 (E_RNA)
where:
Base-Base interactions energy: -214.559
where: short stacking energy: -105.299
Base-Backbone interact. energy: -0.086
local terms energy: -111.566155
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -29.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -305.244292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.244292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.244292 (E_RNA)
where:
Base-Base interactions energy: -197.374
where: short stacking energy: -94.507
Base-Backbone interact. energy: -0.546
local terms energy: -107.323751
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -18.949
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -311.996094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.996094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.996094 (E_RNA)
where:
Base-Base interactions energy: -202.426
where: short stacking energy: -108.463
Base-Backbone interact. energy: -0.394
local terms energy: -109.175920
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -253.725565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.725565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.725565 (E_RNA)
where:
Base-Base interactions energy: -153.709
where: short stacking energy: -91.937
Base-Backbone interact. energy: -0.307
local terms energy: -99.709822
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -236.028534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.028534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.028534 (E_RNA)
where:
Base-Base interactions energy: -133.608
where: short stacking energy: -71.428
Base-Backbone interact. energy: -0.209
local terms energy: -102.211227
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -207.718430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.718430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.718430 (E_RNA)
where:
Base-Base interactions energy: -124.300
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.730
local terms energy: -82.688917
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -128.443832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.443832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.443832 (E_RNA)
where:
Base-Base interactions energy: -62.107
where: short stacking energy: -46.541
Base-Backbone interact. energy: -0.217
local terms energy: -66.119946
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -144.153013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.153013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.153013 (E_RNA)
where:
Base-Base interactions energy: -59.091
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.287
local terms energy: -84.775189
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -370.614699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.614699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.614699 (E_RNA)
where:
Base-Base interactions energy: -249.445
where: short stacking energy: -127.735
Base-Backbone interact. energy: 2.059
local terms energy: -123.228839
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -386.634293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.634293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.634293 (E_RNA)
where:
Base-Base interactions energy: -260.983
where: short stacking energy: -138.471
Base-Backbone interact. energy: -0.413
local terms energy: -125.237676
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -35.366
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -342.039488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.039488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.039488 (E_RNA)
where:
Base-Base interactions energy: -221.740
where: short stacking energy: -115.681
Base-Backbone interact. energy: -0.124
local terms energy: -120.176305
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -317.037876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.037876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.037876 (E_RNA)
where:
Base-Base interactions energy: -207.056
where: short stacking energy: -92.817
Base-Backbone interact. energy: -0.192
local terms energy: -109.790224
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -20.454
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -329.473821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.473821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.473821 (E_RNA)
where:
Base-Base interactions energy: -219.202
where: short stacking energy: -112.341
Base-Backbone interact. energy: -0.648
local terms energy: -109.623815
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -26.816
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: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -232.999509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.999509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999509 (E_RNA)
where:
Base-Base interactions energy: -150.334
where: short stacking energy: -83.428
Base-Backbone interact. energy: -1.154
local terms energy: -81.511876
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -184.741935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741935 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.063
local terms energy: -90.868994
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -196.438853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.438853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.438853 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.476
local terms energy: -68.316206
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -153.749203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.749203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.749203 (E_RNA)
where:
Base-Base interactions energy: -78.228
where: short stacking energy: -46.328
Base-Backbone interact. energy: 0.081
local terms energy: -75.601384
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -174.298568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.298568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.298568 (E_RNA)
where:
Base-Base interactions energy: -106.896
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.161
local terms energy: -67.241921
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -380.832849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.832849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.832849 (E_RNA)
where:
Base-Base interactions energy: -257.452
where: short stacking energy: -127.868
Base-Backbone interact. energy: -0.705
local terms energy: -122.675843
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -351.056195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.056195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.056195 (E_RNA)
where:
Base-Base interactions energy: -233.719
where: short stacking energy: -112.065
Base-Backbone interact. energy: -1.630
local terms energy: -115.707546
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -25.200
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: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -321.242500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.242500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.242500 (E_RNA)
where:
Base-Base interactions energy: -215.035
where: short stacking energy: -112.804
Base-Backbone interact. energy: -0.671
local terms energy: -105.536433
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -326.981592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.981592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.981592 (E_RNA)
where:
Base-Base interactions energy: -211.353
where: short stacking energy: -110.547
Base-Backbone interact. energy: -0.916
local terms energy: -114.711920
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -251.212889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.212889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.212889 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -79.776
Base-Backbone interact. energy: -0.611
local terms energy: -100.249286
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -309.373083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.373083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.373083 (E_RNA)
where:
Base-Base interactions energy: -205.148
where: short stacking energy: -107.363
Base-Backbone interact. energy: -0.008
local terms energy: -104.216947
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -196.696638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.696638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.696638 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.212
local terms energy: -74.705206
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -4.254
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: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -175.174684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.174684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.174684 (E_RNA)
where:
Base-Base interactions energy: -100.062
where: short stacking energy: -64.082
Base-Backbone interact. energy: 0.450
local terms energy: -75.563131
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -9.480
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -162.230619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.230619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.230619 (E_RNA)
where:
Base-Base interactions energy: -83.747
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.855
local terms energy: -77.628009
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -7.551
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: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -132.108405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.108405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.108405 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -44.502
Base-Backbone interact. energy: -0.178
local terms energy: -79.738049
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -8.735
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: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -396.597359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.597359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.597359 (E_RNA)
where:
Base-Base interactions energy: -264.978
where: short stacking energy: -132.391
Base-Backbone interact. energy: -1.379
local terms energy: -130.240899
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -345.365957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.365957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.365957 (E_RNA)
where:
Base-Base interactions energy: -227.629
where: short stacking energy: -118.306
Base-Backbone interact. energy: -2.172
local terms energy: -115.565424
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -26.135
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: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -335.065005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.065005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.065005 (E_RNA)
where:
Base-Base interactions energy: -222.397
where: short stacking energy: -110.319
Base-Backbone interact. energy: -0.170
local terms energy: -112.497856
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -331.427779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.427779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.427779 (E_RNA)
where:
Base-Base interactions energy: -214.961
where: short stacking energy: -113.032
Base-Backbone interact. energy: -0.268
local terms energy: -116.199214
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -287.437120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.437120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.437120 (E_RNA)
where:
Base-Base interactions energy: -179.285
where: short stacking energy: -92.085
Base-Backbone interact. energy: -0.013
local terms energy: -108.139046
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -30.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -286.850740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.850740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.850740 (E_RNA)
where:
Base-Base interactions energy: -184.662
where: short stacking energy: -90.374
Base-Backbone interact. energy: 0.268
local terms energy: -102.457453
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -198.254101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.254101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.254101 (E_RNA)
where:
Base-Base interactions energy: -122.890
where: short stacking energy: -78.316
Base-Backbone interact. energy: 0.249
local terms energy: -75.613516
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -10.924
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: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -183.663648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.663648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.663648 (E_RNA)
where:
Base-Base interactions energy: -104.087
where: short stacking energy: -61.561
Base-Backbone interact. energy: 0.840
local terms energy: -80.416920
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -151.088090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.088090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.088090 (E_RNA)
where:
Base-Base interactions energy: -80.307
where: short stacking energy: -56.807
Base-Backbone interact. energy: -1.748
local terms energy: -69.032656
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -124.676805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.676805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.676805 (E_RNA)
where:
Base-Base interactions energy: -54.101
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.275
local terms energy: -70.300295
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -386.561858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.561858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.561858 (E_RNA)
where:
Base-Base interactions energy: -256.713
where: short stacking energy: -131.619
Base-Backbone interact. energy: 1.914
local terms energy: -131.763626
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -34.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -356.045914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.045914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.045914 (E_RNA)
where:
Base-Base interactions energy: -239.835
where: short stacking energy: -115.667
Base-Backbone interact. energy: -0.787
local terms energy: -115.424202
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -29.900
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: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -351.007174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.007174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.007174 (E_RNA)
where:
Base-Base interactions energy: -223.895
where: short stacking energy: -123.284
Base-Backbone interact. energy: -2.682
local terms energy: -124.430253
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -31.067
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -315.999836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.999836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.999836 (E_RNA)
where:
Base-Base interactions energy: -202.756
where: short stacking energy: -113.700
Base-Backbone interact. energy: -0.138
local terms energy: -113.105708
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -261.765315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.765315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.765315 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -83.116
Base-Backbone interact. energy: -0.711
local terms energy: -100.404728
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -22.931
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: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -262.103196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.103196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.103196 (E_RNA)
where:
Base-Base interactions energy: -161.335
where: short stacking energy: -87.302
Base-Backbone interact. energy: -1.491
local terms energy: -99.277832
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -190.658062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.658062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658062 (E_RNA)
where:
Base-Base interactions energy: -102.522
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.544
local terms energy: -87.592541
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -2.378
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: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -186.178794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.178794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.178794 (E_RNA)
where:
Base-Base interactions energy: -109.081
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.906
local terms energy: -76.191901
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -130.050666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.050666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.050666 (E_RNA)
where:
Base-Base interactions energy: -45.627
where: short stacking energy: -43.119
Base-Backbone interact. energy: -1.114
local terms energy: -83.308975
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -19.881
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: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -125.109215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.109215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.109215 (E_RNA)
where:
Base-Base interactions energy: -40.202
where: short stacking energy: -40.017
Base-Backbone interact. energy: 1.765
local terms energy: -86.671622
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -385.780752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.780752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.780752 (E_RNA)
where:
Base-Base interactions energy: -263.873
where: short stacking energy: -139.696
Base-Backbone interact. energy: -0.000
local terms energy: -121.907154
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -27.708
flat angles P-C4'-P energy: -19.242
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: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -363.597840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.597840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.597840 (E_RNA)
where:
Base-Base interactions energy: -242.884
where: short stacking energy: -119.753
Base-Backbone interact. energy: -1.959
local terms energy: -118.755061
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -337.790112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.790112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.790112 (E_RNA)
where:
Base-Base interactions energy: -221.946
where: short stacking energy: -114.900
Base-Backbone interact. energy: -0.523
local terms energy: -115.321615
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -310.227296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.227296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.227296 (E_RNA)
where:
Base-Base interactions energy: -199.482
where: short stacking energy: -106.640
Base-Backbone interact. energy: -0.041
local terms energy: -110.704780
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -284.154930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154930 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -106.263
Base-Backbone interact. energy: 0.134
local terms energy: -109.977025
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -186.529901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.529901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.529901 (E_RNA)
where:
Base-Base interactions energy: -97.553
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.378
local terms energy: -88.599516
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -201.698020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698020 (E_RNA)
where:
Base-Base interactions energy: -115.838
where: short stacking energy: -87.310
Base-Backbone interact. energy: -0.256
local terms energy: -85.603774
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -145.369263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.369263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.369263 (E_RNA)
where:
Base-Base interactions energy: -66.348
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.269
local terms energy: -78.752744
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -128.313971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.313971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.313971 (E_RNA)
where:
Base-Base interactions energy: -49.725
where: short stacking energy: -49.182
Base-Backbone interact. energy: -0.030
local terms energy: -78.559534
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -124.500132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.500132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.500132 (E_RNA)
where:
Base-Base interactions energy: -50.953
where: short stacking energy: -50.953
Base-Backbone interact. energy: -0.402
local terms energy: -73.145572
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -392.062585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.062585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.062585 (E_RNA)
where:
Base-Base interactions energy: -259.457
where: short stacking energy: -133.565
Base-Backbone interact. energy: -0.056
local terms energy: -132.549824
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -36.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -361.860878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.860878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.860878 (E_RNA)
where:
Base-Base interactions energy: -252.012
where: short stacking energy: -105.171
Base-Backbone interact. energy: -0.694
local terms energy: -109.154843
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -341.334524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.334524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.334524 (E_RNA)
where:
Base-Base interactions energy: -219.605
where: short stacking energy: -116.758
Base-Backbone interact. energy: -0.596
local terms energy: -121.133520
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -30.566
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: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -330.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.324314 (E_RNA)
where:
Base-Base interactions energy: -228.364
where: short stacking energy: -121.560
Base-Backbone interact. energy: -0.601
local terms energy: -101.359905
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -31.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -247.039203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.039203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.039203 (E_RNA)
where:
Base-Base interactions energy: -146.489
where: short stacking energy: -85.276
Base-Backbone interact. energy: -0.506
local terms energy: -100.044433
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -210.131190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.131190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.131190 (E_RNA)
where:
Base-Base interactions energy: -112.063
where: short stacking energy: -86.117
Base-Backbone interact. energy: -0.029
local terms energy: -98.039671
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -182.939742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.939742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.939742 (E_RNA)
where:
Base-Base interactions energy: -94.317
where: short stacking energy: -52.737
Base-Backbone interact. energy: 0.531
local terms energy: -89.153171
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -198.134250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134250 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.357
local terms energy: -77.661015
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -12.625
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: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -135.678285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.678285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.678285 (E_RNA)
where:
Base-Base interactions energy: -60.769
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.267
local terms energy: -74.642001
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -135.581174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.581174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.581174 (E_RNA)
where:
Base-Base interactions energy: -62.541
where: short stacking energy: -57.935
Base-Backbone interact. energy: 0.766
local terms energy: -73.806565
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -390.712455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.712455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.712455 (E_RNA)
where:
Base-Base interactions energy: -260.007
where: short stacking energy: -133.718
Base-Backbone interact. energy: -0.550
local terms energy: -130.155766
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -343.586103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.586103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.586103 (E_RNA)
where:
Base-Base interactions energy: -214.874
where: short stacking energy: -107.757
Base-Backbone interact. energy: -0.012
local terms energy: -128.700719
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -27.997
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: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -355.499028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.499028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.499028 (E_RNA)
where:
Base-Base interactions energy: -243.510
where: short stacking energy: -108.277
Base-Backbone interact. energy: -0.404
local terms energy: -111.584461
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -336.477471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.477471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.477471 (E_RNA)
where:
Base-Base interactions energy: -215.081
where: short stacking energy: -115.083
Base-Backbone interact. energy: -0.025
local terms energy: -121.371087
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -249.375678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.375678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.375678 (E_RNA)
where:
Base-Base interactions energy: -147.714
where: short stacking energy: -93.557
Base-Backbone interact. energy: 0.569
local terms energy: -102.230580
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -20.643
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: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -200.153252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.153252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.153252 (E_RNA)
where:
Base-Base interactions energy: -115.337
where: short stacking energy: -79.683
Base-Backbone interact. energy: -0.202
local terms energy: -84.614570
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -18.336
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: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -174.936479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.936479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.936479 (E_RNA)
where:
Base-Base interactions energy: -87.195
where: short stacking energy: -74.822
Base-Backbone interact. energy: -0.240
local terms energy: -87.501446
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -185.349189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.349189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.349189 (E_RNA)
where:
Base-Base interactions energy: -101.798
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.151
local terms energy: -83.399528
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -129.907521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.907521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.907521 (E_RNA)
where:
Base-Base interactions energy: -46.122
where: short stacking energy: -45.367
Base-Backbone interact. energy: -0.243
local terms energy: -83.542865
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -145.905873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.905873 (E_RNA)
where:
Base-Base interactions energy: -75.794
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.193
local terms energy: -69.918124
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -391.575228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.575228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.575228 (E_RNA)
where:
Base-Base interactions energy: -266.379
where: short stacking energy: -139.559
Base-Backbone interact. energy: -1.775
local terms energy: -123.421012
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -35.696
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: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -343.671849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.671849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.671849 (E_RNA)
where:
Base-Base interactions energy: -228.725
where: short stacking energy: -121.249
Base-Backbone interact. energy: 0.217
local terms energy: -115.163764
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -358.237060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.237060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.237060 (E_RNA)
where:
Base-Base interactions energy: -246.387
where: short stacking energy: -104.232
Base-Backbone interact. energy: -0.414
local terms energy: -111.435873
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -319.512114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.512114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.512114 (E_RNA)
where:
Base-Base interactions energy: -206.555
where: short stacking energy: -111.018
Base-Backbone interact. energy: -0.337
local terms energy: -112.619799
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -265.666854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.666854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.666854 (E_RNA)
where:
Base-Base interactions energy: -165.856
where: short stacking energy: -98.264
Base-Backbone interact. energy: 1.444
local terms energy: -101.254358
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -232.616918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.616918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.616918 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -83.252
Base-Backbone interact. energy: -0.208
local terms energy: -94.700166
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -192.752352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.752352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.752352 (E_RNA)
where:
Base-Base interactions energy: -104.162
where: short stacking energy: -70.794
Base-Backbone interact. energy: 1.087
local terms energy: -89.676992
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -136.385678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.385678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.385678 (E_RNA)
where:
Base-Base interactions energy: -55.934
where: short stacking energy: -55.433
Base-Backbone interact. energy: -1.025
local terms energy: -79.426679
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -10.113
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: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -120.721615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.721615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.721615 (E_RNA)
where:
Base-Base interactions energy: -47.341
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.458
local terms energy: -72.922349
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -0.389
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: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -127.222251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.222251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.222251 (E_RNA)
where:
Base-Base interactions energy: -46.064
where: short stacking energy: -46.064
Base-Backbone interact. energy: -0.120
local terms energy: -81.037435
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -11.521
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -389.576669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.576669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.576669 (E_RNA)
where:
Base-Base interactions energy: -258.212
where: short stacking energy: -129.025
Base-Backbone interact. energy: -0.337
local terms energy: -131.027449
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -36.755
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: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -375.412337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.412337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.412337 (E_RNA)
where:
Base-Base interactions energy: -264.733
where: short stacking energy: -120.988
Base-Backbone interact. energy: -1.844
local terms energy: -108.835755
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -27.432
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: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -346.552297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.552297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.552297 (E_RNA)
where:
Base-Base interactions energy: -235.171
where: short stacking energy: -125.286
Base-Backbone interact. energy: 0.142
local terms energy: -111.523928
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -27.492
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: 265
Temperature: 1.050000
Total energy: -310.539663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.539663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.539663 (E_RNA)
where:
Base-Base interactions energy: -206.857
where: short stacking energy: -110.506
Base-Backbone interact. energy: -0.027
local terms energy: -103.655494
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -280.229099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.229099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.229099 (E_RNA)
where:
Base-Base interactions energy: -170.461
where: short stacking energy: -99.946
Base-Backbone interact. energy: -0.033
local terms energy: -109.735592
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -25.276
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -248.930127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.930127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.930127 (E_RNA)
where:
Base-Base interactions energy: -159.170
where: short stacking energy: -82.910
Base-Backbone interact. energy: 0.997
local terms energy: -90.756941
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -225.334353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.334353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.334353 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.362
local terms energy: -95.793999
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -136.774535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.774535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.774535 (E_RNA)
where:
Base-Base interactions energy: -56.589
where: short stacking energy: -47.004
Base-Backbone interact. energy: -0.050
local terms energy: -80.136397
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -160.741559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.741559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.741559 (E_RNA)
where:
Base-Base interactions energy: -69.732
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.391
local terms energy: -90.618668
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -12.762
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: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -133.451770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.451770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.451770 (E_RNA)
where:
Base-Base interactions energy: -64.187
where: short stacking energy: -63.209
Base-Backbone interact. energy: 1.454
local terms energy: -70.718771
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -369.268307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.268307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.268307 (E_RNA)
where:
Base-Base interactions energy: -257.693
where: short stacking energy: -120.937
Base-Backbone interact. energy: -0.890
local terms energy: -110.685301
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -25.082
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -383.368323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.368323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.368323 (E_RNA)
where:
Base-Base interactions energy: -260.635
where: short stacking energy: -127.718
Base-Backbone interact. energy: -0.206
local terms energy: -122.528018
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -33.014
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -327.123697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.123697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.123697 (E_RNA)
where:
Base-Base interactions energy: -218.188
where: short stacking energy: -107.537
Base-Backbone interact. energy: -0.236
local terms energy: -108.699811
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -320.586875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.586875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.586875 (E_RNA)
where:
Base-Base interactions energy: -216.174
where: short stacking energy: -115.929
Base-Backbone interact. energy: -0.798
local terms energy: -103.614494
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -24.958
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: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -257.086777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.086777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.086777 (E_RNA)
where:
Base-Base interactions energy: -169.313
where: short stacking energy: -90.303
Base-Backbone interact. energy: -0.953
local terms energy: -86.820506
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -234.827702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.827702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.827702 (E_RNA)
where:
Base-Base interactions energy: -148.092
where: short stacking energy: -82.469
Base-Backbone interact. energy: -0.472
local terms energy: -86.263626
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -14.402
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: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -226.797658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797658 (E_RNA)
where:
Base-Base interactions energy: -132.345
where: short stacking energy: -101.594
Base-Backbone interact. energy: 1.196
local terms energy: -95.648160
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -135.738871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.738871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.738871 (E_RNA)
where:
Base-Base interactions energy: -70.618
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.105
local terms energy: -65.015695
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -0.821
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: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -131.971275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.971275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.971275 (E_RNA)
where:
Base-Base interactions energy: -57.476
where: short stacking energy: -52.041
Base-Backbone interact. energy: -0.251
local terms energy: -74.243930
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -3.103
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: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -111.211237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.211237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.211237 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -39.741
Base-Backbone interact. energy: 1.866
local terms energy: -64.349372
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -368.237911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.237911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.237911 (E_RNA)
where:
Base-Base interactions energy: -250.781
where: short stacking energy: -118.805
Base-Backbone interact. energy: -1.914
local terms energy: -115.542887
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -30.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -360.866742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.866742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.866742 (E_RNA)
where:
Base-Base interactions energy: -245.730
where: short stacking energy: -137.691
Base-Backbone interact. energy: -0.189
local terms energy: -114.946895
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -31.691
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: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -345.348727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.348727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.348727 (E_RNA)
where:
Base-Base interactions energy: -235.661
where: short stacking energy: -122.240
Base-Backbone interact. energy: -0.057
local terms energy: -109.630692
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -32.717
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: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -338.949537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.949537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.949537 (E_RNA)
where:
Base-Base interactions energy: -219.527
where: short stacking energy: -118.451
Base-Backbone interact. energy: -0.493
local terms energy: -118.930024
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -274.393064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.393064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.393064 (E_RNA)
where:
Base-Base interactions energy: -169.517
where: short stacking energy: -88.048
Base-Backbone interact. energy: -0.042
local terms energy: -104.834792
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -29.875
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -214.472429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.472429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.472429 (E_RNA)
where:
Base-Base interactions energy: -122.777
where: short stacking energy: -85.286
Base-Backbone interact. energy: -0.753
local terms energy: -90.942435
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -16.700
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: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -243.489612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.489612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.489612 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.119
local terms energy: -99.894363
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -17.050
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: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -153.172741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.172741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.172741 (E_RNA)
where:
Base-Base interactions energy: -65.928
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.175
local terms energy: -87.068798
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -146.984503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.984503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.984503 (E_RNA)
where:
Base-Base interactions energy: -78.790
where: short stacking energy: -42.362
Base-Backbone interact. energy: -0.230
local terms energy: -67.964223
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -6.853
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: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -124.223768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.223768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.223768 (E_RNA)
where:
Base-Base interactions energy: -55.623
where: short stacking energy: -45.202
Base-Backbone interact. energy: 1.410
local terms energy: -70.010031
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -378.320763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.320763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.320763 (E_RNA)
where:
Base-Base interactions energy: -258.075
where: short stacking energy: -120.374
Base-Backbone interact. energy: -1.231
local terms energy: -119.015356
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -27.206
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -361.713080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.713080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.713080 (E_RNA)
where:
Base-Base interactions energy: -237.785
where: short stacking energy: -126.796
Base-Backbone interact. energy: -0.520
local terms energy: -123.407982
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -32.200
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -344.860904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.860904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.860904 (E_RNA)
where:
Base-Base interactions energy: -225.087
where: short stacking energy: -118.573
Base-Backbone interact. energy: -0.157
local terms energy: -119.616568
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -31.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -332.230582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.230582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.230582 (E_RNA)
where:
Base-Base interactions energy: -221.497
where: short stacking energy: -122.617
Base-Backbone interact. energy: -0.129
local terms energy: -110.603821
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -263.361778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.361778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.361778 (E_RNA)
where:
Base-Base interactions energy: -170.799
where: short stacking energy: -97.914
Base-Backbone interact. energy: 2.752
local terms energy: -95.314716
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -20.945
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: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -205.393173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.393173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.393173 (E_RNA)
where:
Base-Base interactions energy: -120.532
where: short stacking energy: -76.498
Base-Backbone interact. energy: -0.792
local terms energy: -84.068447
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -227.341646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.341646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.341646 (E_RNA)
where:
Base-Base interactions energy: -129.156
where: short stacking energy: -78.887
Base-Backbone interact. energy: -0.230
local terms energy: -97.955174
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -20.356
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: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -149.038246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.038246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.038246 (E_RNA)
where:
Base-Base interactions energy: -65.664
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.498
local terms energy: -82.875828
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.982
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: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -129.393884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.393884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.393884 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.233
local terms energy: -75.565771
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -7.848
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -115.975386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.975386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.975386 (E_RNA)
where:
Base-Base interactions energy: -54.713
where: short stacking energy: -51.811
Base-Backbone interact. energy: -0.263
local terms energy: -60.998851
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: 0.347
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: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -375.573962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.573962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.573962 (E_RNA)
where:
Base-Base interactions energy: -266.092
where: short stacking energy: -123.844
Base-Backbone interact. energy: -1.242
local terms energy: -108.240796
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -379.324621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.324621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.324621 (E_RNA)
where:
Base-Base interactions energy: -255.008
where: short stacking energy: -130.880
Base-Backbone interact. energy: -0.207
local terms energy: -124.110119
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -343.610592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.610592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.610592 (E_RNA)
where:
Base-Base interactions energy: -227.199
where: short stacking energy: -124.881
Base-Backbone interact. energy: -0.033
local terms energy: -116.378926
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -28.498
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: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -303.107341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.107341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.107341 (E_RNA)
where:
Base-Base interactions energy: -198.098
where: short stacking energy: -100.007
Base-Backbone interact. energy: -0.319
local terms energy: -104.689883
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -251.361702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.361702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.361702 (E_RNA)
where:
Base-Base interactions energy: -159.374
where: short stacking energy: -83.100
Base-Backbone interact. energy: -1.361
local terms energy: -90.626636
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -14.691
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -243.162342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.162342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.162342 (E_RNA)
where:
Base-Base interactions energy: -160.878
where: short stacking energy: -95.007
Base-Backbone interact. energy: 1.688
local terms energy: -83.972488
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -14.921
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: 269
Temperature: 1.200000
Total energy: -217.879714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.879714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.879714 (E_RNA)
where:
Base-Base interactions energy: -124.980
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.267
local terms energy: -92.633144
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -14.825
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -144.258825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.258825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.258825 (E_RNA)
where:
Base-Base interactions energy: -67.532
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.019
local terms energy: -76.707409
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -130.431626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.431626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.431626 (E_RNA)
where:
Base-Base interactions energy: -55.133
where: short stacking energy: -51.953
Base-Backbone interact. energy: 0.242
local terms energy: -75.540336
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -124.043433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.043433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.043433 (E_RNA)
where:
Base-Base interactions energy: -57.407
where: short stacking energy: -33.700
Base-Backbone interact. energy: 2.273
local terms energy: -68.909709
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -15.795
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -385.247426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.247426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.247426 (E_RNA)
where:
Base-Base interactions energy: -264.553
where: short stacking energy: -140.029
Base-Backbone interact. energy: -0.732
local terms energy: -119.962460
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -32.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -372.934826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.934826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.934826 (E_RNA)
where:
Base-Base interactions energy: -259.621
where: short stacking energy: -122.286
Base-Backbone interact. energy: -0.718
local terms energy: -112.595632
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -28.063
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: 270
Temperature: 1.000000
Total energy: -329.630196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.630196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.630196 (E_RNA)
where:
Base-Base interactions energy: -209.494
where: short stacking energy: -111.220
Base-Backbone interact. energy: -0.101
local terms energy: -120.036108
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -298.792347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.792347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.792347 (E_RNA)
where:
Base-Base interactions energy: -206.732
where: short stacking energy: -104.860
Base-Backbone interact. energy: -1.424
local terms energy: -90.637192
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -258.806379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.806379 (E_RNA)
where:
Base-Base interactions energy: -158.364
where: short stacking energy: -82.475
Base-Backbone interact. energy: -0.554
local terms energy: -99.888336
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -14.236
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -248.909060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.909060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.909060 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -81.499
Base-Backbone interact. energy: -0.014
local terms energy: -93.003499
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -151.284549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.284549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.284549 (E_RNA)
where:
Base-Base interactions energy: -71.197
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.184
local terms energy: -79.903509
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -219.855633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.855633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.855633 (E_RNA)
where:
Base-Base interactions energy: -124.331
where: short stacking energy: -85.447
Base-Backbone interact. energy: 0.771
local terms energy: -96.295514
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -131.055938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.055938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.055938 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -45.461
Base-Backbone interact. energy: 0.098
local terms energy: -84.234305
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -112.872081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.872081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.872081 (E_RNA)
where:
Base-Base interactions energy: -49.613
where: short stacking energy: -49.525
Base-Backbone interact. energy: -0.059
local terms energy: -63.200815
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -379.589806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.589806 (E_RNA)
where:
Base-Base interactions energy: -245.766
where: short stacking energy: -125.163
Base-Backbone interact. energy: -0.726
local terms energy: -133.097856
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -34.758
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: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -341.738795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.738795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.738795 (E_RNA)
where:
Base-Base interactions energy: -225.016
where: short stacking energy: -112.326
Base-Backbone interact. energy: 0.807
local terms energy: -117.530063
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -26.205
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: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -362.369811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.369811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.369811 (E_RNA)
where:
Base-Base interactions energy: -248.878
where: short stacking energy: -119.567
Base-Backbone interact. energy: -1.037
local terms energy: -112.454705
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -16.691
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: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -261.221775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.221775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.221775 (E_RNA)
where:
Base-Base interactions energy: -162.640
where: short stacking energy: -94.785
Base-Backbone interact. energy: -0.737
local terms energy: -97.843877
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -306.799691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.799691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.799691 (E_RNA)
where:
Base-Base interactions energy: -210.491
where: short stacking energy: -103.217
Base-Backbone interact. energy: 0.031
local terms energy: -96.339181
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -21.233
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: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -251.482522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.482522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.482522 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -88.068
Base-Backbone interact. energy: -0.139
local terms energy: -95.781002
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -14.523
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -150.711371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.711371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.711371 (E_RNA)
where:
Base-Base interactions energy: -82.871
where: short stacking energy: -81.117
Base-Backbone interact. energy: -0.208
local terms energy: -67.632628
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -208.563726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.563726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.563726 (E_RNA)
where:
Base-Base interactions energy: -111.716
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.090
local terms energy: -96.757842
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -15.290
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: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -131.191385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.191385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.191385 (E_RNA)
where:
Base-Base interactions energy: -64.729
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.333
local terms energy: -66.128805
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -141.628992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.628992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.628992 (E_RNA)
where:
Base-Base interactions energy: -53.803
where: short stacking energy: -52.028
Base-Backbone interact. energy: -0.776
local terms energy: -87.050427
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -11.960
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: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -375.261904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.261904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.261904 (E_RNA)
where:
Base-Base interactions energy: -253.707
where: short stacking energy: -124.969
Base-Backbone interact. energy: -0.670
local terms energy: -120.885420
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -30.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -369.111672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.111672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.111672 (E_RNA)
where:
Base-Base interactions energy: -254.514
where: short stacking energy: -133.449
Base-Backbone interact. energy: -1.518
local terms energy: -113.079394
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -352.851691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.851691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.851691 (E_RNA)
where:
Base-Base interactions energy: -233.425
where: short stacking energy: -108.691
Base-Backbone interact. energy: -1.069
local terms energy: -118.357416
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -24.881
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: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -261.379096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.379096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.379096 (E_RNA)
where:
Base-Base interactions energy: -159.166
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.153
local terms energy: -102.060900
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -20.174
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: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -297.496397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.496397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.496397 (E_RNA)
where:
Base-Base interactions energy: -203.838
where: short stacking energy: -106.110
Base-Backbone interact. energy: -0.077
local terms energy: -93.581074
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -267.432617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.432617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.432617 (E_RNA)
where:
Base-Base interactions energy: -157.444
where: short stacking energy: -91.065
Base-Backbone interact. energy: -1.384
local terms energy: -108.604497
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -212.168929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168929 (E_RNA)
where:
Base-Base interactions energy: -125.532
where: short stacking energy: -87.958
Base-Backbone interact. energy: -0.885
local terms energy: -85.752799
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -18.840
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: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -153.065378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.065378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.065378 (E_RNA)
where:
Base-Base interactions energy: -72.149
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.275
local terms energy: -80.641122
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -15.631
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -129.816763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.816763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.816763 (E_RNA)
where:
Base-Base interactions energy: -59.777
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.665
local terms energy: -69.374656
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -125.152701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.152701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.152701 (E_RNA)
where:
Base-Base interactions energy: -42.286
where: short stacking energy: -39.293
Base-Backbone interact. energy: -0.242
local terms energy: -82.624077
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -380.871718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.871718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.871718 (E_RNA)
where:
Base-Base interactions energy: -254.872
where: short stacking energy: -130.924
Base-Backbone interact. energy: -0.992
local terms energy: -125.006951
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -382.592721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.592721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.592721 (E_RNA)
where:
Base-Base interactions energy: -253.762
where: short stacking energy: -123.788
Base-Backbone interact. energy: -0.947
local terms energy: -127.883663
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -338.946125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.946125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.946125 (E_RNA)
where:
Base-Base interactions energy: -231.477
where: short stacking energy: -117.600
Base-Backbone interact. energy: -0.157
local terms energy: -107.311953
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -324.392684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.392684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.392684 (E_RNA)
where:
Base-Base interactions energy: -212.698
where: short stacking energy: -111.259
Base-Backbone interact. energy: -0.211
local terms energy: -111.483675
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -27.143
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: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -261.126933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.126933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.126933 (E_RNA)
where:
Base-Base interactions energy: -159.839
where: short stacking energy: -95.699
Base-Backbone interact. energy: -0.209
local terms energy: -101.079333
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -269.747968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.747968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.747968 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -92.130
Base-Backbone interact. energy: -0.507
local terms energy: -102.818539
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -202.918878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918878 (E_RNA)
where:
Base-Base interactions energy: -105.658
where: short stacking energy: -79.311
Base-Backbone interact. energy: -0.178
local terms energy: -97.082907
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -165.617877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.617877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.617877 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -73.210
Base-Backbone interact. energy: 0.576
local terms energy: -89.193794
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -15.569
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: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -129.077819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.077819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.077819 (E_RNA)
where:
Base-Base interactions energy: -52.621
where: short stacking energy: -44.096
Base-Backbone interact. energy: 0.311
local terms energy: -76.767981
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -145.726567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.726567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.726567 (E_RNA)
where:
Base-Base interactions energy: -56.725
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.031
local terms energy: -88.971061
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -13.568
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: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -368.250133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.250133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.250133 (E_RNA)
where:
Base-Base interactions energy: -241.512
where: short stacking energy: -120.301
Base-Backbone interact. energy: -0.415
local terms energy: -126.322528
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -29.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -367.867185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.867185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.867185 (E_RNA)
where:
Base-Base interactions energy: -238.698
where: short stacking energy: -128.155
Base-Backbone interact. energy: -0.780
local terms energy: -128.389343
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -38.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -351.879395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.879395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.879395 (E_RNA)
where:
Base-Base interactions energy: -249.435
where: short stacking energy: -121.769
Base-Backbone interact. energy: -0.156
local terms energy: -102.288126
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -26.584
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -344.944146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.944146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.944146 (E_RNA)
where:
Base-Base interactions energy: -240.378
where: short stacking energy: -122.449
Base-Backbone interact. energy: -0.168
local terms energy: -104.397205
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -274.969867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.969867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.969867 (E_RNA)
where:
Base-Base interactions energy: -168.872
where: short stacking energy: -95.261
Base-Backbone interact. energy: -1.150
local terms energy: -104.947500
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -238.210244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.210244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.210244 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.186
local terms energy: -98.316535
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -214.466010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.466010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.466010 (E_RNA)
where:
Base-Base interactions energy: -121.443
where: short stacking energy: -76.979
Base-Backbone interact. energy: 0.395
local terms energy: -93.418033
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -11.118
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -202.600650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.600650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.600650 (E_RNA)
where:
Base-Base interactions energy: -112.742
where: short stacking energy: -78.308
Base-Backbone interact. energy: -0.313
local terms energy: -89.545417
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -119.354351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.354351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.354351 (E_RNA)
where:
Base-Base interactions energy: -31.028
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.524
local terms energy: -87.802732
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -126.564609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.564609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.564609 (E_RNA)
where:
Base-Base interactions energy: -49.432
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.210
local terms energy: -76.922705
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -381.419808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.419808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.419808 (E_RNA)
where:
Base-Base interactions energy: -258.755
where: short stacking energy: -127.405
Base-Backbone interact. energy: -0.435
local terms energy: -122.230334
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -364.782553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.782553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.782553 (E_RNA)
where:
Base-Base interactions energy: -249.585
where: short stacking energy: -123.050
Base-Backbone interact. energy: -0.732
local terms energy: -114.465375
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -367.381831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.381831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.381831 (E_RNA)
where:
Base-Base interactions energy: -246.708
where: short stacking energy: -128.024
Base-Backbone interact. energy: -0.141
local terms energy: -120.532916
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -34.236
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: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -330.234212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.234212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.234212 (E_RNA)
where:
Base-Base interactions energy: -219.730
where: short stacking energy: -105.185
Base-Backbone interact. energy: -0.090
local terms energy: -110.414545
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -22.255
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: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -263.104832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.104832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.104832 (E_RNA)
where:
Base-Base interactions energy: -161.554
where: short stacking energy: -85.819
Base-Backbone interact. energy: -0.087
local terms energy: -101.464187
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -250.138637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.138637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.138637 (E_RNA)
where:
Base-Base interactions energy: -152.922
where: short stacking energy: -86.791
Base-Backbone interact. energy: -0.280
local terms energy: -96.936782
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -21.122
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: 275
Temperature: 1.200000
Total energy: -213.992748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.992748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992748 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.130
local terms energy: -89.320183
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -14.320
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -155.960400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.960400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.960400 (E_RNA)
where:
Base-Base interactions energy: -76.014
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.224
local terms energy: -79.723168
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -6.457
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: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -128.254319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.254319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.254319 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.156
local terms energy: -76.113950
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -163.129105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.129105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.129105 (E_RNA)
where:
Base-Base interactions energy: -86.211
where: short stacking energy: -62.870
Base-Backbone interact. energy: 1.153
local terms energy: -78.072037
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -377.738596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.738596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.738596 (E_RNA)
where:
Base-Base interactions energy: -247.746
where: short stacking energy: -127.675
Base-Backbone interact. energy: -0.040
local terms energy: -129.952337
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -34.140
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -360.722080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.722080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.722080 (E_RNA)
where:
Base-Base interactions energy: -252.710
where: short stacking energy: -123.278
Base-Backbone interact. energy: -0.713
local terms energy: -107.299692
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -369.910291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.910291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.910291 (E_RNA)
where:
Base-Base interactions energy: -241.384
where: short stacking energy: -116.839
Base-Backbone interact. energy: -0.240
local terms energy: -128.285294
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -35.055
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: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -307.420825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.420825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.420825 (E_RNA)
where:
Base-Base interactions energy: -201.540
where: short stacking energy: -102.264
Base-Backbone interact. energy: 0.046
local terms energy: -105.927284
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -262.829281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.829281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.829281 (E_RNA)
where:
Base-Base interactions energy: -166.928
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.331
local terms energy: -95.570656
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -253.713310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.713310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.713310 (E_RNA)
where:
Base-Base interactions energy: -157.229
where: short stacking energy: -91.586
Base-Backbone interact. energy: -0.139
local terms energy: -96.345637
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -234.145682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.145682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.145682 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.138
local terms energy: -102.684863
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -139.166411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.166411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.166411 (E_RNA)
where:
Base-Base interactions energy: -64.945
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.428
local terms energy: -73.793347
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -2.723
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: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -131.431351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.431351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.431351 (E_RNA)
where:
Base-Base interactions energy: -54.216
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.247
local terms energy: -76.968194
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -165.172941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.172941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.172941 (E_RNA)
where:
Base-Base interactions energy: -84.849
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.355
local terms energy: -79.968804
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -365.977609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.977609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.977609 (E_RNA)
where:
Base-Base interactions energy: -243.205
where: short stacking energy: -125.585
Base-Backbone interact. energy: -0.049
local terms energy: -122.723694
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -31.285
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -388.895656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.895656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.895656 (E_RNA)
where:
Base-Base interactions energy: -264.700
where: short stacking energy: -142.289
Base-Backbone interact. energy: -0.469
local terms energy: -123.727094
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -36.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -337.754767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.754767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.754767 (E_RNA)
where:
Base-Base interactions energy: -221.789
where: short stacking energy: -113.583
Base-Backbone interact. energy: -0.087
local terms energy: -115.879522
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -283.650039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.650039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.650039 (E_RNA)
where:
Base-Base interactions energy: -181.370
where: short stacking energy: -91.974
Base-Backbone interact. energy: 0.106
local terms energy: -102.385816
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -23.673
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -286.249705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.249705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.249705 (E_RNA)
where:
Base-Base interactions energy: -179.472
where: short stacking energy: -89.594
Base-Backbone interact. energy: -0.160
local terms energy: -106.617106
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -220.002603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002603 (E_RNA)
where:
Base-Base interactions energy: -126.458
where: short stacking energy: -87.110
Base-Backbone interact. energy: -0.174
local terms energy: -93.370118
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -218.422973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422973 (E_RNA)
where:
Base-Base interactions energy: -135.767
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.082
local terms energy: -82.574473
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -8.437
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: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -136.785828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.785828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.785828 (E_RNA)
where:
Base-Base interactions energy: -56.737
where: short stacking energy: -51.976
Base-Backbone interact. energy: -0.625
local terms energy: -79.423755
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -142.270911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.270911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.270911 (E_RNA)
where:
Base-Base interactions energy: -62.882
where: short stacking energy: -52.820
Base-Backbone interact. energy: 1.084
local terms energy: -80.472957
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -124.124411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.124411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.124411 (E_RNA)
where:
Base-Base interactions energy: -62.696
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.220
local terms energy: -61.208091
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: 0.629
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: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -393.493269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.493269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.493269 (E_RNA)
where:
Base-Base interactions energy: -261.471
where: short stacking energy: -137.598
Base-Backbone interact. energy: -0.386
local terms energy: -131.636436
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -38.745
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -369.611446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.611446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.611446 (E_RNA)
where:
Base-Base interactions energy: -241.277
where: short stacking energy: -133.702
Base-Backbone interact. energy: -0.446
local terms energy: -127.888370
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -35.640
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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -341.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.660004 (E_RNA)
where:
Base-Base interactions energy: -240.123
where: short stacking energy: -114.517
Base-Backbone interact. energy: -1.613
local terms energy: -99.924791
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -28.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -311.711679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.711679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.711679 (E_RNA)
where:
Base-Base interactions energy: -212.050
where: short stacking energy: -105.817
Base-Backbone interact. energy: -0.392
local terms energy: -99.269584
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -18.749
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: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -296.341631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.341631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.341631 (E_RNA)
where:
Base-Base interactions energy: -198.266
where: short stacking energy: -98.010
Base-Backbone interact. energy: -1.187
local terms energy: -96.888287
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -210.127455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127455 (E_RNA)
where:
Base-Base interactions energy: -123.199
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.036
local terms energy: -86.892179
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -229.510489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.510489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.510489 (E_RNA)
where:
Base-Base interactions energy: -133.233
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.145
local terms energy: -96.132085
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -136.076464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.076464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.076464 (E_RNA)
where:
Base-Base interactions energy: -59.566
where: short stacking energy: -44.413
Base-Backbone interact. energy: 0.307
local terms energy: -76.817858
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -150.222343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.222343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.222343 (E_RNA)
where:
Base-Base interactions energy: -61.173
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.110
local terms energy: -88.939021
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -130.440103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.440103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.440103 (E_RNA)
where:
Base-Base interactions energy: -56.607
where: short stacking energy: -58.007
Base-Backbone interact. energy: 0.678
local terms energy: -74.510991
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -4.308
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: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -408.555403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.555403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.555403 (E_RNA)
where:
Base-Base interactions energy: -269.089
where: short stacking energy: -138.486
Base-Backbone interact. energy: -0.289
local terms energy: -139.177554
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -39.579
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -368.791024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.791024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.791024 (E_RNA)
where:
Base-Base interactions energy: -241.844
where: short stacking energy: -126.802
Base-Backbone interact. energy: -0.078
local terms energy: -126.868688
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -36.463
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: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -342.308921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.308921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.308921 (E_RNA)
where:
Base-Base interactions energy: -231.295
where: short stacking energy: -118.283
Base-Backbone interact. energy: -0.181
local terms energy: -110.832123
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -27.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -315.392500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.392500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.392500 (E_RNA)
where:
Base-Base interactions energy: -209.200
where: short stacking energy: -106.202
Base-Backbone interact. energy: -0.218
local terms energy: -105.974403
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -322.771466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.771466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.771466 (E_RNA)
where:
Base-Base interactions energy: -213.092
where: short stacking energy: -104.257
Base-Backbone interact. energy: -0.084
local terms energy: -109.595976
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -236.092762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092762 (E_RNA)
where:
Base-Base interactions energy: -142.601
where: short stacking energy: -82.557
Base-Backbone interact. energy: 0.402
local terms energy: -93.894177
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -18.245
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: 279
Temperature: 1.200000
Total energy: -216.657792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.657792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.657792 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -78.540
Base-Backbone interact. energy: 0.957
local terms energy: -85.683800
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -136.962298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.962298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.962298 (E_RNA)
where:
Base-Base interactions energy: -57.057
where: short stacking energy: -45.517
Base-Backbone interact. energy: -0.254
local terms energy: -79.651405
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -6.524
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: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -151.004072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.004072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.004072 (E_RNA)
where:
Base-Base interactions energy: -79.795
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.501
local terms energy: -70.708460
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -117.257918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.257918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.257918 (E_RNA)
where:
Base-Base interactions energy: -51.517
where: short stacking energy: -43.734
Base-Backbone interact. energy: -1.126
local terms energy: -64.614870
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -394.015984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.015984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.015984 (E_RNA)
where:
Base-Base interactions energy: -266.196
where: short stacking energy: -135.387
Base-Backbone interact. energy: -0.047
local terms energy: -127.772817
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -37.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -373.280438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.280438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.280438 (E_RNA)
where:
Base-Base interactions energy: -248.929
where: short stacking energy: -132.575
Base-Backbone interact. energy: -0.004
local terms energy: -124.347329
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -36.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -326.254353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.254353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.254353 (E_RNA)
where:
Base-Base interactions energy: -212.995
where: short stacking energy: -104.083
Base-Backbone interact. energy: -0.434
local terms energy: -112.825552
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -31.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -327.482975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.482975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.482975 (E_RNA)
where:
Base-Base interactions energy: -214.266
where: short stacking energy: -116.362
Base-Backbone interact. energy: -0.326
local terms energy: -112.890380
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -31.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -317.976915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.976915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.976915 (E_RNA)
where:
Base-Base interactions energy: -211.414
where: short stacking energy: -106.497
Base-Backbone interact. energy: -0.010
local terms energy: -106.552819
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -233.509926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.509926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.509926 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -88.891
Base-Backbone interact. energy: 0.421
local terms energy: -92.613511
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -220.151554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151554 (E_RNA)
where:
Base-Base interactions energy: -127.641
where: short stacking energy: -72.243
Base-Backbone interact. energy: -0.400
local terms energy: -92.110451
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -15.213
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: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -130.018491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.018491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.018491 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -43.099
Base-Backbone interact. energy: -0.796
local terms energy: -86.123088
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -18.167
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: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -128.148446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.148446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.148446 (E_RNA)
where:
Base-Base interactions energy: -51.226
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.131
local terms energy: -76.790702
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -2.491
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -130.994636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.994636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.994636 (E_RNA)
where:
Base-Base interactions energy: -45.517
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.921
local terms energy: -84.557082
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -399.048675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.048675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.048675 (E_RNA)
where:
Base-Base interactions energy: -263.181
where: short stacking energy: -139.469
Base-Backbone interact. energy: -0.265
local terms energy: -135.603573
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -35.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -371.666309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.666309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.666309 (E_RNA)
where:
Base-Base interactions energy: -250.322
where: short stacking energy: -122.695
Base-Backbone interact. energy: -0.786
local terms energy: -120.558521
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -347.902005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.902005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.902005 (E_RNA)
where:
Base-Base interactions energy: -220.831
where: short stacking energy: -106.794
Base-Backbone interact. energy: -1.305
local terms energy: -125.765518
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -338.003511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.003511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.003511 (E_RNA)
where:
Base-Base interactions energy: -236.961
where: short stacking energy: -109.101
Base-Backbone interact. energy: 0.181
local terms energy: -101.223732
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -22.209
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -312.498494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.498494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.498494 (E_RNA)
where:
Base-Base interactions energy: -202.582
where: short stacking energy: -94.992
Base-Backbone interact. energy: -1.174
local terms energy: -108.742288
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -19.716
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: 281
Temperature: 1.150000
Total energy: -232.078507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078507 (E_RNA)
where:
Base-Base interactions energy: -152.778
where: short stacking energy: -94.244
Base-Backbone interact. energy: 0.196
local terms energy: -79.495964
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -214.134304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.134304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.134304 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.291
local terms energy: -88.901537
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -8.905
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: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -133.093472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.093472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.093472 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.289
local terms energy: -70.080291
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -4.865
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: 281
Temperature: 1.300000
Total energy: -133.008152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.008152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.008152 (E_RNA)
where:
Base-Base interactions energy: -53.490
where: short stacking energy: -41.514
Base-Backbone interact. energy: -0.258
local terms energy: -79.259821
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -128.501358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.501358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.501358 (E_RNA)
where:
Base-Base interactions energy: -57.201
where: short stacking energy: -47.400
Base-Backbone interact. energy: -0.589
local terms energy: -70.711824
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -4.729
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: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -397.900900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.900900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.900900 (E_RNA)
where:
Base-Base interactions energy: -261.887
where: short stacking energy: -136.545
Base-Backbone interact. energy: -0.647
local terms energy: -135.366310
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -38.154
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -387.651101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.651101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.651101 (E_RNA)
where:
Base-Base interactions energy: -260.302
where: short stacking energy: -136.482
Base-Backbone interact. energy: -0.047
local terms energy: -127.302340
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -35.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -346.593405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.593405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.593405 (E_RNA)
where:
Base-Base interactions energy: -229.742
where: short stacking energy: -111.032
Base-Backbone interact. energy: -1.536
local terms energy: -115.315351
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -26.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -314.096790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.096790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.096790 (E_RNA)
where:
Base-Base interactions energy: -203.652
where: short stacking energy: -101.774
Base-Backbone interact. energy: -1.594
local terms energy: -108.851160
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -26.776
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: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -343.783179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.783179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.783179 (E_RNA)
where:
Base-Base interactions energy: -224.779
where: short stacking energy: -118.244
Base-Backbone interact. energy: 0.125
local terms energy: -119.128605
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -29.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -229.014559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014559 (E_RNA)
where:
Base-Base interactions energy: -133.069
where: short stacking energy: -85.351
Base-Backbone interact. energy: -0.095
local terms energy: -95.850306
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -244.309109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.309109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.309109 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -84.793
Base-Backbone interact. energy: -0.710
local terms energy: -99.575313
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -147.545769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.545769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.545769 (E_RNA)
where:
Base-Base interactions energy: -60.274
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.520
local terms energy: -86.752674
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -9.001
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: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -123.223161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.223161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.223161 (E_RNA)
where:
Base-Base interactions energy: -60.579
where: short stacking energy: -41.273
Base-Backbone interact. energy: 4.447
local terms energy: -67.091708
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -1.139
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: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -116.294806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.294806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.294806 (E_RNA)
where:
Base-Base interactions energy: -50.919
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.757
local terms energy: -64.618209
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -402.710571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.710571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.710571 (E_RNA)
where:
Base-Base interactions energy: -274.421
where: short stacking energy: -142.824
Base-Backbone interact. energy: -0.411
local terms energy: -127.878730
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -34.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -391.390013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.390013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.390013 (E_RNA)
where:
Base-Base interactions energy: -256.392
where: short stacking energy: -136.282
Base-Backbone interact. energy: -0.675
local terms energy: -134.323567
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -38.065
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -351.848414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.848414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.848414 (E_RNA)
where:
Base-Base interactions energy: -238.455
where: short stacking energy: -115.565
Base-Backbone interact. energy: -1.575
local terms energy: -111.818707
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -352.810689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.810689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.810689 (E_RNA)
where:
Base-Base interactions energy: -227.992
where: short stacking energy: -111.468
Base-Backbone interact. energy: -0.008
local terms energy: -124.810845
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -32.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -322.466553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.466553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.466553 (E_RNA)
where:
Base-Base interactions energy: -219.639
where: short stacking energy: -111.529
Base-Backbone interact. energy: -0.151
local terms energy: -102.675790
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -247.080378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.080378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.080378 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -85.006
Base-Backbone interact. energy: -0.325
local terms energy: -90.896900
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -18.766
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: 283
Temperature: 1.200000
Total energy: -237.491045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.491045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.491045 (E_RNA)
where:
Base-Base interactions energy: -146.089
where: short stacking energy: -86.778
Base-Backbone interact. energy: 0.975
local terms energy: -92.376901
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -152.097416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.097416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.097416 (E_RNA)
where:
Base-Base interactions energy: -58.506
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.172
local terms energy: -93.419386
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -135.351674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.351674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.351674 (E_RNA)
where:
Base-Base interactions energy: -65.616
where: short stacking energy: -50.093
Base-Backbone interact. energy: -1.336
local terms energy: -68.398947
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -0.370
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -127.422625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.422625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.422625 (E_RNA)
where:
Base-Base interactions energy: -50.146
where: short stacking energy: -46.970
Base-Backbone interact. energy: 0.031
local terms energy: -77.307740
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -390.124331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.124331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.124331 (E_RNA)
where:
Base-Base interactions energy: -256.714
where: short stacking energy: -140.173
Base-Backbone interact. energy: -0.463
local terms energy: -132.947275
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -386.817428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.817428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.817428 (E_RNA)
where:
Base-Base interactions energy: -265.905
where: short stacking energy: -140.958
Base-Backbone interact. energy: -0.000
local terms energy: -120.911891
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -349.333611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.333611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.333611 (E_RNA)
where:
Base-Base interactions energy: -226.835
where: short stacking energy: -114.976
Base-Backbone interact. energy: -0.418
local terms energy: -122.080592
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -19.165
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: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -354.469129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.469129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.469129 (E_RNA)
where:
Base-Base interactions energy: -231.052
where: short stacking energy: -119.468
Base-Backbone interact. energy: -0.404
local terms energy: -123.013364
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -34.719
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: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -270.900893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900893 (E_RNA)
where:
Base-Base interactions energy: -173.021
where: short stacking energy: -104.648
Base-Backbone interact. energy: -0.031
local terms energy: -97.849680
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -21.660
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: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -285.219966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.219966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.219966 (E_RNA)
where:
Base-Base interactions energy: -190.893
where: short stacking energy: -91.703
Base-Backbone interact. energy: -0.845
local terms energy: -93.482366
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.001
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: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -207.200990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.200990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.200990 (E_RNA)
where:
Base-Base interactions energy: -116.233
where: short stacking energy: -78.968
Base-Backbone interact. energy: 1.119
local terms energy: -92.087279
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -143.273830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.273830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.273830 (E_RNA)
where:
Base-Base interactions energy: -67.232
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.495
local terms energy: -75.546632
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -127.350834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.350834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.350834 (E_RNA)
where:
Base-Base interactions energy: -51.819
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.044
local terms energy: -75.487614
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -131.083343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.083343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.083343 (E_RNA)
where:
Base-Base interactions energy: -71.082
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.218
local terms energy: -59.783912
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -0.337
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: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -399.383268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.383268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.383268 (E_RNA)
where:
Base-Base interactions energy: -268.101
where: short stacking energy: -139.085
Base-Backbone interact. energy: -0.003
local terms energy: -131.279423
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -40.593
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -382.173014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.173014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.173014 (E_RNA)
where:
Base-Base interactions energy: -255.549
where: short stacking energy: -138.117
Base-Backbone interact. energy: -0.038
local terms energy: -126.585226
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -38.214
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -361.883411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.883411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.883411 (E_RNA)
where:
Base-Base interactions energy: -243.399
where: short stacking energy: -121.442
Base-Backbone interact. energy: 0.479
local terms energy: -118.963323
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -29.027
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: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -354.805026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.805026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.805026 (E_RNA)
where:
Base-Base interactions energy: -241.322
where: short stacking energy: -128.335
Base-Backbone interact. energy: -0.026
local terms energy: -113.457017
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -36.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -246.673629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.673629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.673629 (E_RNA)
where:
Base-Base interactions energy: -149.789
where: short stacking energy: -76.273
Base-Backbone interact. energy: -0.458
local terms energy: -96.426692
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -284.938388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.938388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.938388 (E_RNA)
where:
Base-Base interactions energy: -176.427
where: short stacking energy: -87.878
Base-Backbone interact. energy: -1.051
local terms energy: -107.460406
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -208.611055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611055 (E_RNA)
where:
Base-Base interactions energy: -122.660
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.205
local terms energy: -85.746264
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -15.684
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: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -140.142267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.142267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.142267 (E_RNA)
where:
Base-Base interactions energy: -63.370
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.181
local terms energy: -76.591070
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -129.624797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.624797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.624797 (E_RNA)
where:
Base-Base interactions energy: -48.158
where: short stacking energy: -46.993
Base-Backbone interact. energy: -0.128
local terms energy: -81.339166
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -117.172184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.172184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.172184 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.230
local terms energy: -78.720608
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -0.971
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: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -392.760676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.760676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.760676 (E_RNA)
where:
Base-Base interactions energy: -262.551
where: short stacking energy: -133.429
Base-Backbone interact. energy: -0.968
local terms energy: -129.242457
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -39.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -386.306753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.306753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.306753 (E_RNA)
where:
Base-Base interactions energy: -253.391
where: short stacking energy: -130.446
Base-Backbone interact. energy: -1.366
local terms energy: -131.549867
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -36.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -372.022337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.022337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.022337 (E_RNA)
where:
Base-Base interactions energy: -253.692
where: short stacking energy: -124.626
Base-Backbone interact. energy: -1.271
local terms energy: -117.058902
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -27.894
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: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -334.621094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.621094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.621094 (E_RNA)
where:
Base-Base interactions energy: -221.405
where: short stacking energy: -115.806
Base-Backbone interact. energy: -1.319
local terms energy: -111.897187
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -28.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -319.524855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.524855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.524855 (E_RNA)
where:
Base-Base interactions energy: -212.664
where: short stacking energy: -105.055
Base-Backbone interact. energy: -0.000
local terms energy: -106.861031
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -260.483045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.483045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.483045 (E_RNA)
where:
Base-Base interactions energy: -162.541
where: short stacking energy: -97.611
Base-Backbone interact. energy: -0.095
local terms energy: -97.846634
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -205.963186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.963186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.963186 (E_RNA)
where:
Base-Base interactions energy: -127.385
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.111
local terms energy: -78.466904
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -150.037580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.037580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.037580 (E_RNA)
where:
Base-Base interactions energy: -77.328
where: short stacking energy: -40.623
Base-Backbone interact. energy: 0.801
local terms energy: -73.509654
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -122.395981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.395981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.395981 (E_RNA)
where:
Base-Base interactions energy: -51.037
where: short stacking energy: -49.460
Base-Backbone interact. energy: -0.197
local terms energy: -71.162623
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -7.219
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: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -131.979739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.979739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.979739 (E_RNA)
where:
Base-Base interactions energy: -61.594
where: short stacking energy: -47.973
Base-Backbone interact. energy: -0.644
local terms energy: -69.741256
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -393.774732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.774732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.774732 (E_RNA)
where:
Base-Base interactions energy: -263.434
where: short stacking energy: -138.228
Base-Backbone interact. energy: -0.336
local terms energy: -130.004852
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -35.732
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: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -384.473885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.473885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.473885 (E_RNA)
where:
Base-Base interactions energy: -264.310
where: short stacking energy: -142.199
Base-Backbone interact. energy: -0.751
local terms energy: -119.413463
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -36.933
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -354.999123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.999123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.999123 (E_RNA)
where:
Base-Base interactions energy: -244.438
where: short stacking energy: -122.947
Base-Backbone interact. energy: -1.850
local terms energy: -108.711487
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -25.525
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -316.925372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.925372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.925372 (E_RNA)
where:
Base-Base interactions energy: -212.755
where: short stacking energy: -110.587
Base-Backbone interact. energy: -0.571
local terms energy: -103.599634
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -323.624368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.624368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.624368 (E_RNA)
where:
Base-Base interactions energy: -203.427
where: short stacking energy: -114.358
Base-Backbone interact. energy: -0.004
local terms energy: -120.193179
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -260.247941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.247941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.247941 (E_RNA)
where:
Base-Base interactions energy: -170.377
where: short stacking energy: -86.842
Base-Backbone interact. energy: -1.295
local terms energy: -88.575845
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -243.651411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.651411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.651411 (E_RNA)
where:
Base-Base interactions energy: -168.874
where: short stacking energy: -88.069
Base-Backbone interact. energy: 1.455
local terms energy: -76.232315
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -17.682
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: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -155.574606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.574606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.574606 (E_RNA)
where:
Base-Base interactions energy: -62.340
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.414
local terms energy: -92.821237
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -14.550
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: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -136.353238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.353238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.353238 (E_RNA)
where:
Base-Base interactions energy: -62.474
where: short stacking energy: -42.764
Base-Backbone interact. energy: 0.720
local terms energy: -74.599274
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -153.700413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.700413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.700413 (E_RNA)
where:
Base-Base interactions energy: -93.865
where: short stacking energy: -45.509
Base-Backbone interact. energy: 2.084
local terms energy: -61.919602
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -395.529976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.529976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.529976 (E_RNA)
where:
Base-Base interactions energy: -274.806
where: short stacking energy: -136.838
Base-Backbone interact. energy: -0.296
local terms energy: -120.427878
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -19.985
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -391.482283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.482283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.482283 (E_RNA)
where:
Base-Base interactions energy: -267.631
where: short stacking energy: -138.504
Base-Backbone interact. energy: -0.503
local terms energy: -123.348622
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -361.553319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.553319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.553319 (E_RNA)
where:
Base-Base interactions energy: -248.400
where: short stacking energy: -122.459
Base-Backbone interact. energy: -1.214
local terms energy: -111.939448
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -295.108241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.108241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.108241 (E_RNA)
where:
Base-Base interactions energy: -191.012
where: short stacking energy: -95.772
Base-Backbone interact. energy: -0.267
local terms energy: -103.829042
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -268.178330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.178330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.178330 (E_RNA)
where:
Base-Base interactions energy: -166.483
where: short stacking energy: -106.227
Base-Backbone interact. energy: -0.294
local terms energy: -101.400966
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -293.123411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.123411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.123411 (E_RNA)
where:
Base-Base interactions energy: -191.784
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.115
local terms energy: -101.224440
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -228.464807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.464807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.464807 (E_RNA)
where:
Base-Base interactions energy: -136.108
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.236
local terms energy: -92.120735
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -146.171906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.171906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.171906 (E_RNA)
where:
Base-Base interactions energy: -81.254
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.479
local terms energy: -64.438757
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -1.972
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: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -228.821996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.821996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.821996 (E_RNA)
where:
Base-Base interactions energy: -142.506
where: short stacking energy: -59.587
Base-Backbone interact. energy: -1.596
local terms energy: -84.719848
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -4.194
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: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -118.110748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.110748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.110748 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.164
local terms energy: -74.446230
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -385.705975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.705975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.705975 (E_RNA)
where:
Base-Base interactions energy: -258.007
where: short stacking energy: -135.252
Base-Backbone interact. energy: -0.951
local terms energy: -126.748804
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -357.713671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.713671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.713671 (E_RNA)
where:
Base-Base interactions energy: -241.108
where: short stacking energy: -114.427
Base-Backbone interact. energy: -1.019
local terms energy: -115.586865
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -31.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -392.081925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.081925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.081925 (E_RNA)
where:
Base-Base interactions energy: -260.050
where: short stacking energy: -135.237
Base-Backbone interact. energy: -0.493
local terms energy: -131.539408
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -40.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -300.737524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.737524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.737524 (E_RNA)
where:
Base-Base interactions energy: -189.446
where: short stacking energy: -100.179
Base-Backbone interact. energy: -0.113
local terms energy: -111.178924
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -21.940
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -264.859196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.859196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.859196 (E_RNA)
where:
Base-Base interactions energy: -166.895
where: short stacking energy: -99.896
Base-Backbone interact. energy: -0.378
local terms energy: -97.586194
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -300.527204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.527204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.527204 (E_RNA)
where:
Base-Base interactions energy: -204.938
where: short stacking energy: -100.296
Base-Backbone interact. energy: -1.114
local terms energy: -94.475003
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -15.043
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: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -213.323902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.323902 (E_RNA)
where:
Base-Base interactions energy: -142.903
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.570
local terms energy: -69.851420
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -276.501082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.501082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.501082 (E_RNA)
where:
Base-Base interactions energy: -189.225
where: short stacking energy: -96.979
Base-Backbone interact. energy: -0.548
local terms energy: -86.727618
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -160.430798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.430798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.430798 (E_RNA)
where:
Base-Base interactions energy: -80.040
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.437
local terms energy: -79.954495
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -123.189794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.189794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.189794 (E_RNA)
where:
Base-Base interactions energy: -51.891
where: short stacking energy: -35.552
Base-Backbone interact. energy: -0.455
local terms energy: -70.844200
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -16.278
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -381.248300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.248300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.248300 (E_RNA)
where:
Base-Base interactions energy: -246.890
where: short stacking energy: -133.735
Base-Backbone interact. energy: -0.175
local terms energy: -134.183677
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -28.834
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -36.792
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: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -355.070060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.070060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.070060 (E_RNA)
where:
Base-Base interactions energy: -245.050
where: short stacking energy: -118.914
Base-Backbone interact. energy: -1.535
local terms energy: -108.484683
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -360.660865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.660865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.660865 (E_RNA)
where:
Base-Base interactions energy: -240.474
where: short stacking energy: -120.228
Base-Backbone interact. energy: -0.134
local terms energy: -120.052444
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -35.431
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -311.080652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.080652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.080652 (E_RNA)
where:
Base-Base interactions energy: -209.229
where: short stacking energy: -104.375
Base-Backbone interact. energy: 0.856
local terms energy: -102.707407
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -246.442449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.442449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.442449 (E_RNA)
where:
Base-Base interactions energy: -154.943
where: short stacking energy: -89.611
Base-Backbone interact. energy: -0.691
local terms energy: -90.808403
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -11.764
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -285.396588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.396588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.396588 (E_RNA)
where:
Base-Base interactions energy: -186.880
where: short stacking energy: -96.246
Base-Backbone interact. energy: -1.384
local terms energy: -97.132687
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -17.448
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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -305.161235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.161235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.161235 (E_RNA)
where:
Base-Base interactions energy: -209.431
where: short stacking energy: -111.253
Base-Backbone interact. energy: -0.488
local terms energy: -95.242090
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -25.617
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -237.155034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.155034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.155034 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.005
local terms energy: -92.658821
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -16.985
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: 290
Temperature: 1.300000
Total energy: -134.299513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.299513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.299513 (E_RNA)
where:
Base-Base interactions energy: -56.411
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.293
local terms energy: -77.595169
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -120.866113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.866113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.866113 (E_RNA)
where:
Base-Base interactions energy: -45.154
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.201
local terms energy: -75.511263
where:
bonds (distance) C4'-P energy: -26.397
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -393.166614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.166614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.166614 (E_RNA)
where:
Base-Base interactions energy: -261.675
where: short stacking energy: -144.636
Base-Backbone interact. energy: -0.211
local terms energy: -131.281178
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -38.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -365.664739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.664739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.664739 (E_RNA)
where:
Base-Base interactions energy: -251.416
where: short stacking energy: -124.771
Base-Backbone interact. energy: -0.317
local terms energy: -113.931422
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -339.077565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.077565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.077565 (E_RNA)
where:
Base-Base interactions energy: -229.539
where: short stacking energy: -119.470
Base-Backbone interact. energy: -0.539
local terms energy: -109.000057
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -27.704
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: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -322.349074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.349074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.349074 (E_RNA)
where:
Base-Base interactions energy: -208.278
where: short stacking energy: -103.786
Base-Backbone interact. energy: -0.065
local terms energy: -114.005946
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -30.304
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -271.942066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.942066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.942066 (E_RNA)
where:
Base-Base interactions energy: -174.156
where: short stacking energy: -113.412
Base-Backbone interact. energy: -0.666
local terms energy: -97.119454
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -24.911
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -303.206826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.206826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.206826 (E_RNA)
where:
Base-Base interactions energy: -197.233
where: short stacking energy: -99.041
Base-Backbone interact. energy: -0.112
local terms energy: -105.861856
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -26.145
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -293.341120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.341120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.341120 (E_RNA)
where:
Base-Base interactions energy: -195.638
where: short stacking energy: -95.524
Base-Backbone interact. energy: -0.760
local terms energy: -96.942554
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -23.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -222.700365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.700365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.700365 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -66.416
Base-Backbone interact. energy: 0.214
local terms energy: -89.428437
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -158.561190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.561190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.561190 (E_RNA)
where:
Base-Base interactions energy: -76.484
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.214
local terms energy: -81.863004
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -117.218631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.218631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.218631 (E_RNA)
where:
Base-Base interactions energy: -50.076
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.642
local terms energy: -66.500871
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -388.929349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.929349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.929349 (E_RNA)
where:
Base-Base interactions energy: -257.548
where: short stacking energy: -137.215
Base-Backbone interact. energy: -0.088
local terms energy: -131.293260
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -35.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -356.008462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.008462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.008462 (E_RNA)
where:
Base-Base interactions energy: -239.008
where: short stacking energy: -119.550
Base-Backbone interact. energy: -1.511
local terms energy: -115.489417
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -30.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -326.384378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.384378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.384378 (E_RNA)
where:
Base-Base interactions energy: -215.622
where: short stacking energy: -113.006
Base-Backbone interact. energy: -2.064
local terms energy: -108.698652
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -28.978
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: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -336.249136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.249136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.249136 (E_RNA)
where:
Base-Base interactions energy: -224.483
where: short stacking energy: -115.871
Base-Backbone interact. energy: -0.210
local terms energy: -111.555940
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -313.373707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.373707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.373707 (E_RNA)
where:
Base-Base interactions energy: -205.672
where: short stacking energy: -108.129
Base-Backbone interact. energy: 2.552
local terms energy: -110.253205
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -23.881
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: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -246.886194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.886194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.886194 (E_RNA)
where:
Base-Base interactions energy: -160.896
where: short stacking energy: -87.493
Base-Backbone interact. energy: -0.318
local terms energy: -85.672091
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -292.626569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.626569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.626569 (E_RNA)
where:
Base-Base interactions energy: -195.221
where: short stacking energy: -96.063
Base-Backbone interact. energy: -0.134
local terms energy: -97.271752
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -25.422
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -227.351892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.351892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.351892 (E_RNA)
where:
Base-Base interactions energy: -140.597
where: short stacking energy: -81.433
Base-Backbone interact. energy: 4.763
local terms energy: -91.517919
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -17.421
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: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -148.902080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.902080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.902080 (E_RNA)
where:
Base-Base interactions energy: -70.148
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.120
local terms energy: -78.634374
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -128.005698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.005698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.005698 (E_RNA)
where:
Base-Base interactions energy: -56.148
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.612
local terms energy: -71.244987
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -389.020504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.020504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.020504 (E_RNA)
where:
Base-Base interactions energy: -262.811
where: short stacking energy: -143.453
Base-Backbone interact. energy: -0.037
local terms energy: -126.172715
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -35.395
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: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -361.195192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.195192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.195192 (E_RNA)
where:
Base-Base interactions energy: -237.811
where: short stacking energy: -125.539
Base-Backbone interact. energy: -1.143
local terms energy: -122.241021
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -29.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -325.928867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.928867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.928867 (E_RNA)
where:
Base-Base interactions energy: -220.333
where: short stacking energy: -107.169
Base-Backbone interact. energy: 0.743
local terms energy: -106.338001
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -317.688769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.688769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.688769 (E_RNA)
where:
Base-Base interactions energy: -206.427
where: short stacking energy: -105.072
Base-Backbone interact. energy: -1.295
local terms energy: -109.966288
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -16.583
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: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -326.383601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.383601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.383601 (E_RNA)
where:
Base-Base interactions energy: -223.779
where: short stacking energy: -113.261
Base-Backbone interact. energy: -0.111
local terms energy: -102.492924
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -27.593
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: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -309.641875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.641875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.641875 (E_RNA)
where:
Base-Base interactions energy: -204.525
where: short stacking energy: -103.569
Base-Backbone interact. energy: -0.186
local terms energy: -104.930777
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -26.250
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: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -229.668620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.668620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.668620 (E_RNA)
where:
Base-Base interactions energy: -142.842
where: short stacking energy: -88.568
Base-Backbone interact. energy: 1.032
local terms energy: -87.858758
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -15.958
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -190.004584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.004584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.004584 (E_RNA)
where:
Base-Base interactions energy: -115.141
where: short stacking energy: -66.428
Base-Backbone interact. energy: -0.235
local terms energy: -74.628710
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -5.496
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: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -140.462688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.462688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.462688 (E_RNA)
where:
Base-Base interactions energy: -60.744
where: short stacking energy: -60.107
Base-Backbone interact. energy: 0.247
local terms energy: -79.965010
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -6.938
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: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -133.904726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.904726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.904726 (E_RNA)
where:
Base-Base interactions energy: -66.319
where: short stacking energy: -52.926
Base-Backbone interact. energy: 1.198
local terms energy: -68.784550
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -6.328
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: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -377.270654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.270654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.270654 (E_RNA)
where:
Base-Base interactions energy: -257.414
where: short stacking energy: -118.373
Base-Backbone interact. energy: -1.299
local terms energy: -118.557438
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -354.175655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.175655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.175655 (E_RNA)
where:
Base-Base interactions energy: -240.858
where: short stacking energy: -125.282
Base-Backbone interact. energy: -0.020
local terms energy: -113.297946
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -33.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -336.080056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.080056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.080056 (E_RNA)
where:
Base-Base interactions energy: -219.431
where: short stacking energy: -110.445
Base-Backbone interact. energy: -1.462
local terms energy: -115.186357
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -27.832
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: 294
Temperature: 1.050000
Total energy: -328.105251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.105251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.105251 (E_RNA)
where:
Base-Base interactions energy: -221.977
where: short stacking energy: -118.228
Base-Backbone interact. energy: -0.019
local terms energy: -106.108983
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -30.281
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -305.004344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.004344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.004344 (E_RNA)
where:
Base-Base interactions energy: -201.086
where: short stacking energy: -111.655
Base-Backbone interact. energy: -0.407
local terms energy: -103.511523
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -24.235
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: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -301.201190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.201190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.201190 (E_RNA)
where:
Base-Base interactions energy: -198.352
where: short stacking energy: -102.330
Base-Backbone interact. energy: -0.022
local terms energy: -102.827059
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -24.133
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: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -216.465859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.465859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.465859 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -70.605
Base-Backbone interact. energy: -0.180
local terms energy: -96.174154
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -147.104185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.104185 (E_RNA)
where:
Base-Base interactions energy: -61.923
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.386
local terms energy: -84.794792
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -140.021601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.021601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.021601 (E_RNA)
where:
Base-Base interactions energy: -70.357
where: short stacking energy: -52.045
Base-Backbone interact. energy: 0.058
local terms energy: -69.723418
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -2.091
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: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -142.605567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.605567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.605567 (E_RNA)
where:
Base-Base interactions energy: -58.952
where: short stacking energy: -48.645
Base-Backbone interact. energy: -0.380
local terms energy: -83.274136
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -369.770189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.770189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.770189 (E_RNA)
where:
Base-Base interactions energy: -253.265
where: short stacking energy: -119.136
Base-Backbone interact. energy: -0.705
local terms energy: -115.800707
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -350.165346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.165346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.165346 (E_RNA)
where:
Base-Base interactions energy: -223.215
where: short stacking energy: -125.430
Base-Backbone interact. energy: -2.066
local terms energy: -124.884325
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -341.798463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.798463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.798463 (E_RNA)
where:
Base-Base interactions energy: -231.320
where: short stacking energy: -119.691
Base-Backbone interact. energy: -0.137
local terms energy: -110.341329
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -27.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -332.767309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.767309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.767309 (E_RNA)
where:
Base-Base interactions energy: -222.791
where: short stacking energy: -107.608
Base-Backbone interact. energy: -0.078
local terms energy: -109.898107
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -27.342
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: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -311.210365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.210365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.210365 (E_RNA)
where:
Base-Base interactions energy: -205.750
where: short stacking energy: -93.813
Base-Backbone interact. energy: -0.551
local terms energy: -104.908981
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -314.099552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.099552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.099552 (E_RNA)
where:
Base-Base interactions energy: -210.024
where: short stacking energy: -104.020
Base-Backbone interact. energy: -0.221
local terms energy: -103.854949
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -222.192874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.192874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.192874 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -84.570
Base-Backbone interact. energy: -0.066
local terms energy: -82.575083
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -160.626677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.626677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.626677 (E_RNA)
where:
Base-Base interactions energy: -87.204
where: short stacking energy: -61.770
Base-Backbone interact. energy: 0.739
local terms energy: -74.161076
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -139.539586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.539586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.539586 (E_RNA)
where:
Base-Base interactions energy: -64.627
where: short stacking energy: -56.587
Base-Backbone interact. energy: 0.398
local terms energy: -75.310582
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -8.861
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -149.392205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.392205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.392205 (E_RNA)
where:
Base-Base interactions energy: -78.241
where: short stacking energy: -42.771
Base-Backbone interact. energy: 0.012
local terms energy: -71.163351
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -5.617
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: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -362.974050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.974050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.974050 (E_RNA)
where:
Base-Base interactions energy: -256.491
where: short stacking energy: -121.910
Base-Backbone interact. energy: -0.562
local terms energy: -105.921284
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -24.647
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: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -336.020290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.020290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.020290 (E_RNA)
where:
Base-Base interactions energy: -220.955
where: short stacking energy: -115.973
Base-Backbone interact. energy: -0.222
local terms energy: -114.843316
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -30.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -378.921270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.921270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.921270 (E_RNA)
where:
Base-Base interactions energy: -262.846
where: short stacking energy: -126.314
Base-Backbone interact. energy: -0.845
local terms energy: -115.229836
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -31.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -328.827406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.827406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.827406 (E_RNA)
where:
Base-Base interactions energy: -219.092
where: short stacking energy: -105.479
Base-Backbone interact. energy: -0.167
local terms energy: -109.568158
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -25.218
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -314.489650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.489650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.489650 (E_RNA)
where:
Base-Base interactions energy: -202.748
where: short stacking energy: -108.869
Base-Backbone interact. energy: -0.078
local terms energy: -111.662971
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -309.958604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.958604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.958604 (E_RNA)
where:
Base-Base interactions energy: -199.677
where: short stacking energy: -100.276
Base-Backbone interact. energy: -0.398
local terms energy: -109.883835
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -25.519
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -213.807543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.807543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.807543 (E_RNA)
where:
Base-Base interactions energy: -126.320
where: short stacking energy: -68.235
Base-Backbone interact. energy: -1.021
local terms energy: -86.466415
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -9.689
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -224.747570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.747570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.747570 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -77.252
Base-Backbone interact. energy: -0.022
local terms energy: -90.653076
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -22.350
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -134.756064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.756064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.756064 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -46.282
Base-Backbone interact. energy: -1.526
local terms energy: -83.199230
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -132.237409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.237409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.237409 (E_RNA)
where:
Base-Base interactions energy: -52.240
where: short stacking energy: -47.645
Base-Backbone interact. energy: -0.195
local terms energy: -79.803195
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -362.388943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.388943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.388943 (E_RNA)
where:
Base-Base interactions energy: -252.439
where: short stacking energy: -110.540
Base-Backbone interact. energy: -1.488
local terms energy: -108.462192
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -394.661298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.661298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.661298 (E_RNA)
where:
Base-Base interactions energy: -258.613
where: short stacking energy: -135.248
Base-Backbone interact. energy: -0.001
local terms energy: -136.046928
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -37.662
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: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -338.527843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.527843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.527843 (E_RNA)
where:
Base-Base interactions energy: -219.601
where: short stacking energy: -114.979
Base-Backbone interact. energy: -0.019
local terms energy: -118.908055
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -306.757237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.757237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.757237 (E_RNA)
where:
Base-Base interactions energy: -204.828
where: short stacking energy: -109.801
Base-Backbone interact. energy: -0.101
local terms energy: -101.828224
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -314.328627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.328627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.328627 (E_RNA)
where:
Base-Base interactions energy: -210.855
where: short stacking energy: -102.969
Base-Backbone interact. energy: -0.078
local terms energy: -103.395900
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -316.691606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.691606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.691606 (E_RNA)
where:
Base-Base interactions energy: -200.879
where: short stacking energy: -100.547
Base-Backbone interact. energy: -0.088
local terms energy: -115.724807
where:
bonds (distance) C4'-P energy: -26.915
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -203.524104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.524104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.524104 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -73.552
Base-Backbone interact. energy: -0.657
local terms energy: -81.445799
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -16.157
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: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -201.560252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.560252 (E_RNA)
where:
Base-Base interactions energy: -112.037
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.708
local terms energy: -88.814742
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -125.833365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.833365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.833365 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.247
local terms energy: -76.906249
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -125.236017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.236017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.236017 (E_RNA)
where:
Base-Base interactions energy: -58.191
where: short stacking energy: -46.197
Base-Backbone interact. energy: -0.142
local terms energy: -66.902261
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -401.076364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.076364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.076364 (E_RNA)
where:
Base-Base interactions energy: -275.571
where: short stacking energy: -140.260
Base-Backbone interact. energy: 0.785
local terms energy: -126.290595
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -37.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -352.373687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.373687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.373687 (E_RNA)
where:
Base-Base interactions energy: -249.058
where: short stacking energy: -114.095
Base-Backbone interact. energy: -1.260
local terms energy: -102.055856
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -25.787
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -343.301185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.301185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.301185 (E_RNA)
where:
Base-Base interactions energy: -225.416
where: short stacking energy: -111.510
Base-Backbone interact. energy: -0.080
local terms energy: -117.805066
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -31.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -295.958271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.958271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.958271 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.371
local terms energy: -104.064505
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -18.024
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: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -314.917366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.917366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.917366 (E_RNA)
where:
Base-Base interactions energy: -207.230
where: short stacking energy: -95.289
Base-Backbone interact. energy: -0.780
local terms energy: -106.907555
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -22.912
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -314.875478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.875478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.875478 (E_RNA)
where:
Base-Base interactions energy: -211.542
where: short stacking energy: -115.298
Base-Backbone interact. energy: -0.025
local terms energy: -103.308289
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -195.846945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.846945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.846945 (E_RNA)
where:
Base-Base interactions energy: -107.499
where: short stacking energy: -70.383
Base-Backbone interact. energy: 0.379
local terms energy: -88.727148
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -221.834992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.834992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.834992 (E_RNA)
where:
Base-Base interactions energy: -140.020
where: short stacking energy: -78.759
Base-Backbone interact. energy: -0.439
local terms energy: -81.375163
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -17.799
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: 298
Temperature: 1.300000
Total energy: -146.968150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.968150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.968150 (E_RNA)
where:
Base-Base interactions energy: -68.677
where: short stacking energy: -68.677
Base-Backbone interact. energy: 0.792
local terms energy: -79.083386
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -154.271291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.271291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.271291 (E_RNA)
where:
Base-Base interactions energy: -82.912
where: short stacking energy: -41.284
Base-Backbone interact. energy: -0.474
local terms energy: -70.884822
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -1.916
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -399.564213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.564213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.564213 (E_RNA)
where:
Base-Base interactions energy: -268.391
where: short stacking energy: -140.661
Base-Backbone interact. energy: -0.774
local terms energy: -130.399164
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -39.452
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: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -363.243105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.243105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.243105 (E_RNA)
where:
Base-Base interactions energy: -249.219
where: short stacking energy: -119.822
Base-Backbone interact. energy: -0.675
local terms energy: -113.349382
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -323.911763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.911763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.911763 (E_RNA)
where:
Base-Base interactions energy: -212.072
where: short stacking energy: -100.149
Base-Backbone interact. energy: -0.178
local terms energy: -111.661965
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -25.023
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: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -322.361196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.361196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.361196 (E_RNA)
where:
Base-Base interactions energy: -207.216
where: short stacking energy: -111.737
Base-Backbone interact. energy: -0.325
local terms energy: -114.820291
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -289.550419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.550419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.550419 (E_RNA)
where:
Base-Base interactions energy: -189.113
where: short stacking energy: -89.023
Base-Backbone interact. energy: -1.203
local terms energy: -99.234691
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -18.761
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: 299
Temperature: 1.150000
Total energy: -320.078983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.078983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.078983 (E_RNA)
where:
Base-Base interactions energy: -214.782
where: short stacking energy: -114.515
Base-Backbone interact. energy: -0.441
local terms energy: -104.856269
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -27.595
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: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -210.981688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.981688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.981688 (E_RNA)
where:
Base-Base interactions energy: -117.887
where: short stacking energy: -68.280
Base-Backbone interact. energy: -1.042
local terms energy: -92.052738
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -178.739084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739084 (E_RNA)
where:
Base-Base interactions energy: -92.174
where: short stacking energy: -43.211
Base-Backbone interact. energy: 0.373
local terms energy: -86.937607
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -120.864687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.864687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.864687 (E_RNA)
where:
Base-Base interactions energy: -50.314
where: short stacking energy: -45.849
Base-Backbone interact. energy: 0.118
local terms energy: -70.669049
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -1.610
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -157.207150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.207150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.207150 (E_RNA)
where:
Base-Base interactions energy: -85.090
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.210
local terms energy: -71.907200
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -407.180469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.180469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.180469 (E_RNA)
where:
Base-Base interactions energy: -272.788
where: short stacking energy: -140.409
Base-Backbone interact. energy: -0.006
local terms energy: -134.386453
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -40.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -364.927771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.927771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.927771 (E_RNA)
where:
Base-Base interactions energy: -246.305
where: short stacking energy: -123.183
Base-Backbone interact. energy: -0.277
local terms energy: -118.345860
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -341.594964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.594964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.594964 (E_RNA)
where:
Base-Base interactions energy: -213.507
where: short stacking energy: -119.265
Base-Backbone interact. energy: -0.118
local terms energy: -127.969696
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -32.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -320.603793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.603793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.603793 (E_RNA)
where:
Base-Base interactions energy: -204.217
where: short stacking energy: -105.177
Base-Backbone interact. energy: -0.016
local terms energy: -116.370919
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -28.168
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: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -303.778940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.778940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.778940 (E_RNA)
where:
Base-Base interactions energy: -197.024
where: short stacking energy: -100.473
Base-Backbone interact. energy: -0.045
local terms energy: -106.709751
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -293.112944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.112944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.112944 (E_RNA)
where:
Base-Base interactions energy: -193.268
where: short stacking energy: -91.694
Base-Backbone interact. energy: 1.643
local terms energy: -101.488617
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -19.596
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -234.966186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.966186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.966186 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -87.928
Base-Backbone interact. energy: -0.779
local terms energy: -104.017789
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -173.047746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.047746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.047746 (E_RNA)
where:
Base-Base interactions energy: -87.890
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.157
local terms energy: -85.001002
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -131.552772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.552772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.552772 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -50.979
Base-Backbone interact. energy: -0.104
local terms energy: -78.461486
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -124.800524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.800524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.800524 (E_RNA)
where:
Base-Base interactions energy: -58.314
where: short stacking energy: -41.645
Base-Backbone interact. energy: -0.718
local terms energy: -65.768314
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: 0.250
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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -398.203970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.203970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.203970 (E_RNA)
where:
Base-Base interactions energy: -268.709
where: short stacking energy: -137.619
Base-Backbone interact. energy: -0.000
local terms energy: -129.494238
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -37.517
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: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -357.243879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.243879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.243879 (E_RNA)
where:
Base-Base interactions energy: -236.375
where: short stacking energy: -112.570
Base-Backbone interact. energy: -1.782
local terms energy: -119.087009
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -29.357
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: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -342.393745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.393745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.393745 (E_RNA)
where:
Base-Base interactions energy: -226.388
where: short stacking energy: -115.175
Base-Backbone interact. energy: -0.670
local terms energy: -115.335662
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -24.318
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: 301
Temperature: 1.050000
Total energy: -333.312861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.312861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.312861 (E_RNA)
where:
Base-Base interactions energy: -219.834
where: short stacking energy: -117.432
Base-Backbone interact. energy: -0.004
local terms energy: -113.474690
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -320.514085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.514085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.514085 (E_RNA)
where:
Base-Base interactions energy: -213.024
where: short stacking energy: -112.456
Base-Backbone interact. energy: -0.211
local terms energy: -107.278767
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -24.875
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: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -308.832143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.832143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.832143 (E_RNA)
where:
Base-Base interactions energy: -204.559
where: short stacking energy: -111.215
Base-Backbone interact. energy: -0.566
local terms energy: -103.707584
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -22.976
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -211.683859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.683859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.683859 (E_RNA)
where:
Base-Base interactions energy: -125.713
where: short stacking energy: -76.870
Base-Backbone interact. energy: 2.307
local terms energy: -88.277784
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -16.907
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: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -157.861994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.861994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.861994 (E_RNA)
where:
Base-Base interactions energy: -86.255
where: short stacking energy: -58.074
Base-Backbone interact. energy: -0.386
local terms energy: -71.220769
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -6.740
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: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -135.080338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.080338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.080338 (E_RNA)
where:
Base-Base interactions energy: -63.736
where: short stacking energy: -41.114
Base-Backbone interact. energy: 0.069
local terms energy: -71.413533
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -142.220293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.220293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.220293 (E_RNA)
where:
Base-Base interactions energy: -68.772
where: short stacking energy: -40.456
Base-Backbone interact. energy: -0.145
local terms energy: -73.303355
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -365.486964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.486964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.486964 (E_RNA)
where:
Base-Base interactions energy: -244.982
where: short stacking energy: -117.105
Base-Backbone interact. energy: -1.270
local terms energy: -119.234575
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -392.396221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.396221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.396221 (E_RNA)
where:
Base-Base interactions energy: -265.790
where: short stacking energy: -136.523
Base-Backbone interact. energy: -0.774
local terms energy: -125.832023
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -341.174500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.174500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.174500 (E_RNA)
where:
Base-Base interactions energy: -220.974
where: short stacking energy: -118.857
Base-Backbone interact. energy: -0.070
local terms energy: -120.130585
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -29.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -330.878431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.878431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.878431 (E_RNA)
where:
Base-Base interactions energy: -220.251
where: short stacking energy: -101.404
Base-Backbone interact. energy: -0.741
local terms energy: -109.886233
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -23.299
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: 302
Temperature: 1.100000
Total energy: -316.146157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.146157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.146157 (E_RNA)
where:
Base-Base interactions energy: -205.850
where: short stacking energy: -98.847
Base-Backbone interact. energy: -1.808
local terms energy: -108.488640
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -304.308656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.308656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.308656 (E_RNA)
where:
Base-Base interactions energy: -213.169
where: short stacking energy: -108.374
Base-Backbone interact. energy: -0.190
local terms energy: -90.949745
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -224.944896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944896 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -77.362
Base-Backbone interact. energy: -0.018
local terms energy: -91.302764
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -162.031503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.031503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.031503 (E_RNA)
where:
Base-Base interactions energy: -82.084
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.438
local terms energy: -79.509154
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -4.283
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: 302
Temperature: 1.300000
Total energy: -154.370769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.370769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.370769 (E_RNA)
where:
Base-Base interactions energy: -77.558
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.237
local terms energy: -76.575191
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -153.731474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.731474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.731474 (E_RNA)
where:
Base-Base interactions energy: -82.411
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.411
local terms energy: -70.909713
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -362.472035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.472035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.472035 (E_RNA)
where:
Base-Base interactions energy: -249.808
where: short stacking energy: -126.612
Base-Backbone interact. energy: -0.302
local terms energy: -112.361738
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -28.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -349.850232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.850232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.850232 (E_RNA)
where:
Base-Base interactions energy: -235.736
where: short stacking energy: -117.552
Base-Backbone interact. energy: -0.134
local terms energy: -113.980573
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -367.019684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.019684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.019684 (E_RNA)
where:
Base-Base interactions energy: -251.747
where: short stacking energy: -131.112
Base-Backbone interact. energy: -0.000
local terms energy: -115.272732
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -34.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -308.470729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.470729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.470729 (E_RNA)
where:
Base-Base interactions energy: -201.192
where: short stacking energy: -98.442
Base-Backbone interact. energy: 0.620
local terms energy: -107.898787
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -323.592336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.592336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.592336 (E_RNA)
where:
Base-Base interactions energy: -209.702
where: short stacking energy: -108.606
Base-Backbone interact. energy: -0.236
local terms energy: -113.653622
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -312.908389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.908389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.908389 (E_RNA)
where:
Base-Base interactions energy: -204.960
where: short stacking energy: -96.130
Base-Backbone interact. energy: 0.449
local terms energy: -108.397188
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -22.628
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: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -224.565753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.565753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.565753 (E_RNA)
where:
Base-Base interactions energy: -141.326
where: short stacking energy: -75.426
Base-Backbone interact. energy: -0.827
local terms energy: -82.413130
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -17.713
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -137.657527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.657527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.657527 (E_RNA)
where:
Base-Base interactions energy: -60.698
where: short stacking energy: -55.074
Base-Backbone interact. energy: 2.037
local terms energy: -78.997196
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -130.162905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.162905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.162905 (E_RNA)
where:
Base-Base interactions energy: -57.327
where: short stacking energy: -53.542
Base-Backbone interact. energy: -0.133
local terms energy: -72.703475
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -4.916
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: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -167.879364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.879364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.879364 (E_RNA)
where:
Base-Base interactions energy: -91.232
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.022
local terms energy: -76.625331
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -363.915488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.915488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.915488 (E_RNA)
where:
Base-Base interactions energy: -249.702
where: short stacking energy: -121.701
Base-Backbone interact. energy: 0.306
local terms energy: -114.519162
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -30.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -345.590588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.590588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.590588 (E_RNA)
where:
Base-Base interactions energy: -221.498
where: short stacking energy: -122.761
Base-Backbone interact. energy: -0.028
local terms energy: -124.065061
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -33.256
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: 304
Temperature: 1.000000
Total energy: -374.099466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.099466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.099466 (E_RNA)
where:
Base-Base interactions energy: -252.094
where: short stacking energy: -132.266
Base-Backbone interact. energy: -0.000
local terms energy: -122.005356
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -37.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -324.067462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.067462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.067462 (E_RNA)
where:
Base-Base interactions energy: -213.287
where: short stacking energy: -109.037
Base-Backbone interact. energy: -0.236
local terms energy: -110.544181
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -29.225
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: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -306.857978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.857978 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -100.605
Base-Backbone interact. energy: -0.036
local terms energy: -112.387446
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -24.479
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: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -301.875462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.875462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.875462 (E_RNA)
where:
Base-Base interactions energy: -202.482
where: short stacking energy: -105.130
Base-Backbone interact. energy: 0.581
local terms energy: -99.975119
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -27.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -216.013666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.013666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.013666 (E_RNA)
where:
Base-Base interactions energy: -132.511
where: short stacking energy: -53.533
Base-Backbone interact. energy: -0.909
local terms energy: -82.593853
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -10.617
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: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -139.865372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.865372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.865372 (E_RNA)
where:
Base-Base interactions energy: -59.294
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.238
local terms energy: -80.332534
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -6.457
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: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -126.416839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.416839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.416839 (E_RNA)
where:
Base-Base interactions energy: -54.016
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.311
local terms energy: -72.089893
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.227
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: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -132.303358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.303358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.303358 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -50.954
Base-Backbone interact. energy: 0.473
local terms energy: -81.822272
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -379.322603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.322603 (E_RNA)
where:
Base-Base interactions energy: -257.231
where: short stacking energy: -127.953
Base-Backbone interact. energy: -0.995
local terms energy: -121.097283
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -352.507602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.507602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.507602 (E_RNA)
where:
Base-Base interactions energy: -226.486
where: short stacking energy: -126.804
Base-Backbone interact. energy: -0.465
local terms energy: -125.555933
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -333.538584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.538584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.538584 (E_RNA)
where:
Base-Base interactions energy: -218.341
where: short stacking energy: -112.433
Base-Backbone interact. energy: -0.118
local terms energy: -115.079922
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -313.053663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.053663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.053663 (E_RNA)
where:
Base-Base interactions energy: -204.450
where: short stacking energy: -107.964
Base-Backbone interact. energy: -0.055
local terms energy: -108.549109
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -313.015750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.015750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.015750 (E_RNA)
where:
Base-Base interactions energy: -211.452
where: short stacking energy: -87.339
Base-Backbone interact. energy: 0.083
local terms energy: -101.647456
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -328.963327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.963327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.963327 (E_RNA)
where:
Base-Base interactions energy: -212.005
where: short stacking energy: -120.291
Base-Backbone interact. energy: -0.221
local terms energy: -116.737024
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -30.986
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: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -251.545909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.545909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.545909 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -85.882
Base-Backbone interact. energy: -0.683
local terms energy: -98.804703
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -155.254255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.254255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.254255 (E_RNA)
where:
Base-Base interactions energy: -70.670
where: short stacking energy: -61.504
Base-Backbone interact. energy: -0.197
local terms energy: -84.386937
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -138.851197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.851197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.851197 (E_RNA)
where:
Base-Base interactions energy: -62.831
where: short stacking energy: -43.344
Base-Backbone interact. energy: 1.191
local terms energy: -77.211739
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -133.897774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.897774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.897774 (E_RNA)
where:
Base-Base interactions energy: -77.414
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.366
local terms energy: -56.117919
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -7.529
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -368.648218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.648218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.648218 (E_RNA)
where:
Base-Base interactions energy: -243.638
where: short stacking energy: -123.178
Base-Backbone interact. energy: -1.835
local terms energy: -123.175401
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -368.144707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.144707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.144707 (E_RNA)
where:
Base-Base interactions energy: -247.041
where: short stacking energy: -121.865
Base-Backbone interact. energy: 0.376
local terms energy: -121.479944
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -29.763
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: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -330.816111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.816111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.816111 (E_RNA)
where:
Base-Base interactions energy: -216.416
where: short stacking energy: -120.456
Base-Backbone interact. energy: -0.225
local terms energy: -114.175276
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -29.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -331.109195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109195 (E_RNA)
where:
Base-Base interactions energy: -212.828
where: short stacking energy: -123.372
Base-Backbone interact. energy: -0.891
local terms energy: -117.390643
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -323.657271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.657271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.657271 (E_RNA)
where:
Base-Base interactions energy: -219.470
where: short stacking energy: -115.208
Base-Backbone interact. energy: 0.057
local terms energy: -104.244424
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -10.992
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: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -298.457547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.457547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.457547 (E_RNA)
where:
Base-Base interactions energy: -193.317
where: short stacking energy: -91.405
Base-Backbone interact. energy: -0.764
local terms energy: -104.376540
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -155.735382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.735382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.735382 (E_RNA)
where:
Base-Base interactions energy: -76.587
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.171
local terms energy: -78.976776
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -234.855408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.855408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.855408 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -72.973
Base-Backbone interact. energy: 0.913
local terms energy: -93.525972
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -138.296287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.296287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.296287 (E_RNA)
where:
Base-Base interactions energy: -54.696
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.188
local terms energy: -83.411548
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -118.444581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.444581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.444581 (E_RNA)
where:
Base-Base interactions energy: -49.563
where: short stacking energy: -49.563
Base-Backbone interact. energy: -0.286
local terms energy: -68.596003
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: 1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -384.943758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.943758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.943758 (E_RNA)
where:
Base-Base interactions energy: -262.137
where: short stacking energy: -136.421
Base-Backbone interact. energy: -1.180
local terms energy: -121.627290
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -370.632935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.632935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.632935 (E_RNA)
where:
Base-Base interactions energy: -244.971
where: short stacking energy: -123.008
Base-Backbone interact. energy: -0.200
local terms energy: -125.461208
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -29.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -334.334841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.334841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.334841 (E_RNA)
where:
Base-Base interactions energy: -224.062
where: short stacking energy: -117.655
Base-Backbone interact. energy: -0.074
local terms energy: -110.199143
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -31.032
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: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -327.119292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.119292 (E_RNA)
where:
Base-Base interactions energy: -219.792
where: short stacking energy: -118.069
Base-Backbone interact. energy: -0.278
local terms energy: -107.049122
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -25.488
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: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -313.792153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.792153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.792153 (E_RNA)
where:
Base-Base interactions energy: -202.167
where: short stacking energy: -115.134
Base-Backbone interact. energy: -0.881
local terms energy: -110.744295
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -313.113707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.113707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.113707 (E_RNA)
where:
Base-Base interactions energy: -206.459
where: short stacking energy: -111.814
Base-Backbone interact. energy: -0.126
local terms energy: -106.528898
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -29.115
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: 307
Temperature: 1.200000
Total energy: -154.566314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.566314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.566314 (E_RNA)
where:
Base-Base interactions energy: -67.323
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.655
local terms energy: -86.587966
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -186.462967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.462967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.462967 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -61.878
Base-Backbone interact. energy: 0.011
local terms energy: -79.088006
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -137.611770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.611770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.611770 (E_RNA)
where:
Base-Base interactions energy: -67.397
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.339
local terms energy: -69.875495
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -120.215140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.215140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.215140 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -50.448
Base-Backbone interact. energy: 0.525
local terms energy: -68.785066
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -3.431
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: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -380.514659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.514659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.514659 (E_RNA)
where:
Base-Base interactions energy: -258.885
where: short stacking energy: -128.910
Base-Backbone interact. energy: -1.934
local terms energy: -119.695710
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -379.787808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.787808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.787808 (E_RNA)
where:
Base-Base interactions energy: -249.353
where: short stacking energy: -126.241
Base-Backbone interact. energy: -1.616
local terms energy: -128.818367
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -338.745570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.745570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.745570 (E_RNA)
where:
Base-Base interactions energy: -219.652
where: short stacking energy: -115.955
Base-Backbone interact. energy: -2.552
local terms energy: -116.542292
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -31.772
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: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -314.560992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.560992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.560992 (E_RNA)
where:
Base-Base interactions energy: -207.091
where: short stacking energy: -104.910
Base-Backbone interact. energy: -0.206
local terms energy: -107.263524
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -326.543086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.543086 (E_RNA)
where:
Base-Base interactions energy: -210.584
where: short stacking energy: -108.936
Base-Backbone interact. energy: -0.081
local terms energy: -115.878296
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -294.121767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.121767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.121767 (E_RNA)
where:
Base-Base interactions energy: -194.772
where: short stacking energy: -95.077
Base-Backbone interact. energy: 0.227
local terms energy: -99.577214
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -21.407
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: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -206.041471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.041471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041471 (E_RNA)
where:
Base-Base interactions energy: -120.212
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.337
local terms energy: -85.492805
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -159.488726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.488726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.488726 (E_RNA)
where:
Base-Base interactions energy: -75.940
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.370
local terms energy: -83.179004
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -7.222
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: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -131.041031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.041031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.041031 (E_RNA)
where:
Base-Base interactions energy: -55.320
where: short stacking energy: -51.595
Base-Backbone interact. energy: 0.239
local terms energy: -75.959280
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -4.372
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: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -134.371336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.371336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.371336 (E_RNA)
where:
Base-Base interactions energy: -48.766
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.257
local terms energy: -85.347708
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -6.856
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: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -381.376561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.376561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.376561 (E_RNA)
where:
Base-Base interactions energy: -258.965
where: short stacking energy: -126.222
Base-Backbone interact. energy: -0.986
local terms energy: -121.425422
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -30.548
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: 309
Temperature: 0.950000
Total energy: -363.110293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.110293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.110293 (E_RNA)
where:
Base-Base interactions energy: -238.571
where: short stacking energy: -132.370
Base-Backbone interact. energy: -0.159
local terms energy: -124.380203
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -31.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -368.699078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.699078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.699078 (E_RNA)
where:
Base-Base interactions energy: -244.273
where: short stacking energy: -119.946
Base-Backbone interact. energy: -1.346
local terms energy: -123.079481
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -31.710
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: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -331.181850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.181850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.181850 (E_RNA)
where:
Base-Base interactions energy: -219.988
where: short stacking energy: -117.758
Base-Backbone interact. energy: -0.773
local terms energy: -110.421091
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -316.932014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.932014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.932014 (E_RNA)
where:
Base-Base interactions energy: -203.244
where: short stacking energy: -114.587
Base-Backbone interact. energy: -0.350
local terms energy: -113.338412
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -28.793
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: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -325.043298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.043298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.043298 (E_RNA)
where:
Base-Base interactions energy: -206.891
where: short stacking energy: -107.388
Base-Backbone interact. energy: -1.480
local terms energy: -116.672318
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -224.273649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.273649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.273649 (E_RNA)
where:
Base-Base interactions energy: -139.478
where: short stacking energy: -81.101
Base-Backbone interact. energy: -0.147
local terms energy: -84.648794
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -11.320
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: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -150.870153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.870153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.870153 (E_RNA)
where:
Base-Base interactions energy: -74.234
where: short stacking energy: -53.441
Base-Backbone interact. energy: -0.522
local terms energy: -76.114307
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -130.694790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.694790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.694790 (E_RNA)
where:
Base-Base interactions energy: -58.656
where: short stacking energy: -49.738
Base-Backbone interact. energy: 0.561
local terms energy: -72.599804
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -126.140992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.140992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.140992 (E_RNA)
where:
Base-Base interactions energy: -53.350
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.367
local terms energy: -72.424712
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -340.040778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.040778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.040778 (E_RNA)
where:
Base-Base interactions energy: -221.934
where: short stacking energy: -113.599
Base-Backbone interact. energy: -0.093
local terms energy: -118.013793
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -26.710
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: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -381.239907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.239907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.239907 (E_RNA)
where:
Base-Base interactions energy: -253.502
where: short stacking energy: -129.260
Base-Backbone interact. energy: -0.649
local terms energy: -127.089076
where:
bonds (distance) C4'-P energy: -28.940
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -30.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -363.096585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.096585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.096585 (E_RNA)
where:
Base-Base interactions energy: -249.123
where: short stacking energy: -130.025
Base-Backbone interact. energy: -0.937
local terms energy: -113.035728
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -321.607438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.607438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.607438 (E_RNA)
where:
Base-Base interactions energy: -214.213
where: short stacking energy: -121.663
Base-Backbone interact. energy: -0.150
local terms energy: -107.244069
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -27.061
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: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -338.710172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.710172 (E_RNA)
where:
Base-Base interactions energy: -222.460
where: short stacking energy: -117.710
Base-Backbone interact. energy: 0.234
local terms energy: -116.484194
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -306.398064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.398064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.398064 (E_RNA)
where:
Base-Base interactions energy: -202.738
where: short stacking energy: -108.674
Base-Backbone interact. energy: -0.244
local terms energy: -103.416812
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -27.707
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -238.461545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.461545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.461545 (E_RNA)
where:
Base-Base interactions energy: -146.196
where: short stacking energy: -87.056
Base-Backbone interact. energy: -1.093
local terms energy: -91.172403
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -15.250
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: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -155.725309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.725309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.725309 (E_RNA)
where:
Base-Base interactions energy: -66.742
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.622
local terms energy: -88.361524
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -171.344878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.344878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.344878 (E_RNA)
where:
Base-Base interactions energy: -94.934
where: short stacking energy: -52.231
Base-Backbone interact. energy: 0.322
local terms energy: -76.733181
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -6.348
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: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -114.950409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.950409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.950409 (E_RNA)
where:
Base-Base interactions energy: -45.712
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.304
local terms energy: -68.934450
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -6.869
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: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -351.195486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.195486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.195486 (E_RNA)
where:
Base-Base interactions energy: -226.760
where: short stacking energy: -121.176
Base-Backbone interact. energy: -0.949
local terms energy: -123.487023
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -32.256
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -371.336133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.336133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.336133 (E_RNA)
where:
Base-Base interactions energy: -255.118
where: short stacking energy: -122.763
Base-Backbone interact. energy: -0.801
local terms energy: -115.417015
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -32.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -370.311866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.311866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.311866 (E_RNA)
where:
Base-Base interactions energy: -252.493
where: short stacking energy: -121.212
Base-Backbone interact. energy: -1.238
local terms energy: -116.580551
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -339.951381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.951381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.951381 (E_RNA)
where:
Base-Base interactions energy: -227.764
where: short stacking energy: -116.307
Base-Backbone interact. energy: -1.055
local terms energy: -111.132494
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -34.936
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: 311
Temperature: 1.100000
Total energy: -324.570031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.570031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.570031 (E_RNA)
where:
Base-Base interactions energy: -208.221
where: short stacking energy: -116.278
Base-Backbone interact. energy: -0.003
local terms energy: -116.345571
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -31.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -309.819186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.819186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.819186 (E_RNA)
where:
Base-Base interactions energy: -209.513
where: short stacking energy: -103.793
Base-Backbone interact. energy: -0.177
local terms energy: -100.129182
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -27.442
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -231.360067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.360067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.360067 (E_RNA)
where:
Base-Base interactions energy: -138.726
where: short stacking energy: -86.983
Base-Backbone interact. energy: -0.597
local terms energy: -92.037382
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -23.602
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: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -143.474711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.474711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.474711 (E_RNA)
where:
Base-Base interactions energy: -62.663
where: short stacking energy: -55.633
Base-Backbone interact. energy: -0.358
local terms energy: -80.453761
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -7.312
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -122.672555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.672555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.672555 (E_RNA)
where:
Base-Base interactions energy: -51.687
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.467
local terms energy: -70.519262
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -3.929
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: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -120.427199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.427199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.427199 (E_RNA)
where:
Base-Base interactions energy: -48.646
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.530
local terms energy: -71.251463
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -384.749020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.749020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.749020 (E_RNA)
where:
Base-Base interactions energy: -261.250
where: short stacking energy: -137.353
Base-Backbone interact. energy: -1.200
local terms energy: -122.298659
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -32.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -351.645141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.645141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.645141 (E_RNA)
where:
Base-Base interactions energy: -229.399
where: short stacking energy: -126.362
Base-Backbone interact. energy: -0.001
local terms energy: -122.245406
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -32.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -358.577863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.577863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.577863 (E_RNA)
where:
Base-Base interactions energy: -246.037
where: short stacking energy: -120.041
Base-Backbone interact. energy: -0.500
local terms energy: -112.041178
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -29.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -335.313354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.313354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.313354 (E_RNA)
where:
Base-Base interactions energy: -216.506
where: short stacking energy: -119.081
Base-Backbone interact. energy: -0.020
local terms energy: -118.787857
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -343.103269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.103269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.103269 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -119.630
Base-Backbone interact. energy: 1.031
local terms energy: -120.139979
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -34.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -308.764040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.764040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.764040 (E_RNA)
where:
Base-Base interactions energy: -199.436
where: short stacking energy: -99.432
Base-Backbone interact. energy: -0.175
local terms energy: -109.152876
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -21.571
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -208.442202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.442202 (E_RNA)
where:
Base-Base interactions energy: -122.682
where: short stacking energy: -69.334
Base-Backbone interact. energy: -1.787
local terms energy: -83.973498
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -140.353903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.353903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.353903 (E_RNA)
where:
Base-Base interactions energy: -59.491
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.022
local terms energy: -80.841471
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.680
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: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -146.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.246215 (E_RNA)
where:
Base-Base interactions energy: -81.278
where: short stacking energy: -31.950
Base-Backbone interact. energy: 0.429
local terms energy: -65.397147
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -121.340264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.340264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.340264 (E_RNA)
where:
Base-Base interactions energy: -49.790
where: short stacking energy: -33.393
Base-Backbone interact. energy: -1.297
local terms energy: -70.253218
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -0.835
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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -387.740941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.740941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.740941 (E_RNA)
where:
Base-Base interactions energy: -259.298
where: short stacking energy: -130.939
Base-Backbone interact. energy: -1.410
local terms energy: -127.033441
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -27.060
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -33.801
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: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -354.872611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.872611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.872611 (E_RNA)
where:
Base-Base interactions energy: -241.989
where: short stacking energy: -100.453
Base-Backbone interact. energy: -0.761
local terms energy: -112.122999
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -29.422
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: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -356.117369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.117369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.117369 (E_RNA)
where:
Base-Base interactions energy: -237.296
where: short stacking energy: -127.772
Base-Backbone interact. energy: -0.369
local terms energy: -118.452112
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -32.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -328.406360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.406360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.406360 (E_RNA)
where:
Base-Base interactions energy: -213.124
where: short stacking energy: -103.664
Base-Backbone interact. energy: -0.152
local terms energy: -115.130727
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -27.484
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -321.710024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.710024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.710024 (E_RNA)
where:
Base-Base interactions energy: -213.557
where: short stacking energy: -112.418
Base-Backbone interact. energy: -0.448
local terms energy: -107.704921
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -25.969
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: 313
Temperature: 1.150000
Total energy: -314.367672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.367672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.367672 (E_RNA)
where:
Base-Base interactions energy: -207.978
where: short stacking energy: -100.843
Base-Backbone interact. energy: -0.248
local terms energy: -106.141336
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -213.909967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.909967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.909967 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.181
local terms energy: -97.276149
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -144.533367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.533367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.533367 (E_RNA)
where:
Base-Base interactions energy: -63.749
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.079
local terms energy: -80.704842
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.560
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: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -142.641673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.641673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.641673 (E_RNA)
where:
Base-Base interactions energy: -76.653
where: short stacking energy: -51.175
Base-Backbone interact. energy: -0.472
local terms energy: -65.515835
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -125.365136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.365136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.365136 (E_RNA)
where:
Base-Base interactions energy: -51.348
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.292
local terms energy: -73.725183
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -382.176302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.176302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.176302 (E_RNA)
where:
Base-Base interactions energy: -257.743
where: short stacking energy: -128.210
Base-Backbone interact. energy: -1.072
local terms energy: -123.361987
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -31.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -353.857841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.857841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.857841 (E_RNA)
where:
Base-Base interactions energy: -249.602
where: short stacking energy: -107.565
Base-Backbone interact. energy: -0.485
local terms energy: -103.770337
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -25.917
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: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -337.054695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.054695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.054695 (E_RNA)
where:
Base-Base interactions energy: -230.447
where: short stacking energy: -113.542
Base-Backbone interact. energy: -0.364
local terms energy: -106.243320
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -371.977541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.977541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.977541 (E_RNA)
where:
Base-Base interactions energy: -253.412
where: short stacking energy: -127.159
Base-Backbone interact. energy: -1.426
local terms energy: -117.139620
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -32.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -329.672965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.672965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.672965 (E_RNA)
where:
Base-Base interactions energy: -214.751
where: short stacking energy: -116.766
Base-Backbone interact. energy: -1.217
local terms energy: -113.704807
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -33.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -297.703478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.703478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.703478 (E_RNA)
where:
Base-Base interactions energy: -188.500
where: short stacking energy: -99.458
Base-Backbone interact. energy: -0.325
local terms energy: -108.878492
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -220.701602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.701602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.701602 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.773
local terms energy: -95.788696
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -210.080163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.080163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.080163 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -71.992
Base-Backbone interact. energy: -0.218
local terms energy: -81.487254
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -182.298133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.298133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.298133 (E_RNA)
where:
Base-Base interactions energy: -95.287
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.225
local terms energy: -86.786155
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -12.934
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: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -120.658953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.658953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.658953 (E_RNA)
where:
Base-Base interactions energy: -49.541
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.281
local terms energy: -70.837507
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -384.336252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.336252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.336252 (E_RNA)
where:
Base-Base interactions energy: -258.519
where: short stacking energy: -129.022
Base-Backbone interact. energy: -0.740
local terms energy: -125.076664
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -30.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -366.270887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.270887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.270887 (E_RNA)
where:
Base-Base interactions energy: -250.489
where: short stacking energy: -120.389
Base-Backbone interact. energy: -0.875
local terms energy: -114.906166
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -25.117
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: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -340.643050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.643050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.643050 (E_RNA)
where:
Base-Base interactions energy: -220.729
where: short stacking energy: -115.258
Base-Backbone interact. energy: -0.011
local terms energy: -119.903030
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -357.929186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.929186 (E_RNA)
where:
Base-Base interactions energy: -247.789
where: short stacking energy: -124.103
Base-Backbone interact. energy: -0.179
local terms energy: -109.960664
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -28.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -308.811435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.811435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.811435 (E_RNA)
where:
Base-Base interactions energy: -208.652
where: short stacking energy: -105.708
Base-Backbone interact. energy: -1.384
local terms energy: -98.775902
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -311.801422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.801422 (E_RNA)
where:
Base-Base interactions energy: -214.456
where: short stacking energy: -102.655
Base-Backbone interact. energy: -1.179
local terms energy: -96.166419
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -16.432
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: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -195.718752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.718752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.718752 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.122
local terms energy: -80.324504
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -220.599167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599167 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -72.759
Base-Backbone interact. energy: -0.422
local terms energy: -84.481681
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -135.939929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.939929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.939929 (E_RNA)
where:
Base-Base interactions energy: -59.401
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.609
local terms energy: -75.930272
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -1.174
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: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -126.323653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.323653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.323653 (E_RNA)
where:
Base-Base interactions energy: -54.348
where: short stacking energy: -46.807
Base-Backbone interact. energy: -0.239
local terms energy: -71.736460
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.420
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: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -371.785821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.785821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.785821 (E_RNA)
where:
Base-Base interactions energy: -254.046
where: short stacking energy: -125.066
Base-Backbone interact. energy: -0.797
local terms energy: -116.942755
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -374.866973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.866973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.866973 (E_RNA)
where:
Base-Base interactions energy: -254.540
where: short stacking energy: -128.558
Base-Backbone interact. energy: -1.656
local terms energy: -118.670591
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -378.831648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.831648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.831648 (E_RNA)
where:
Base-Base interactions energy: -253.140
where: short stacking energy: -127.334
Base-Backbone interact. energy: -0.752
local terms energy: -124.939455
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -36.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -332.960474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.960474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.960474 (E_RNA)
where:
Base-Base interactions energy: -207.811
where: short stacking energy: -114.629
Base-Backbone interact. energy: 0.270
local terms energy: -125.419297
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -33.041
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: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -323.603441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.603441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.603441 (E_RNA)
where:
Base-Base interactions energy: -223.073
where: short stacking energy: -103.861
Base-Backbone interact. energy: -0.856
local terms energy: -99.674178
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -288.949688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.949688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.949688 (E_RNA)
where:
Base-Base interactions energy: -178.929
where: short stacking energy: -92.520
Base-Backbone interact. energy: -0.657
local terms energy: -109.363305
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -247.624794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.624794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.624794 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -86.614
Base-Backbone interact. energy: -0.006
local terms energy: -91.064028
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -191.398125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.398125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.398125 (E_RNA)
where:
Base-Base interactions energy: -104.024
where: short stacking energy: -61.420
Base-Backbone interact. energy: -2.671
local terms energy: -84.703735
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -144.866635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.866635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.866635 (E_RNA)
where:
Base-Base interactions energy: -73.039
where: short stacking energy: -44.193
Base-Backbone interact. energy: 1.624
local terms energy: -73.451362
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -120.986874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.986874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.986874 (E_RNA)
where:
Base-Base interactions energy: -47.040
where: short stacking energy: -47.228
Base-Backbone interact. energy: -0.141
local terms energy: -73.806039
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -376.226002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.226002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.226002 (E_RNA)
where:
Base-Base interactions energy: -253.184
where: short stacking energy: -127.663
Base-Backbone interact. energy: -1.128
local terms energy: -121.913977
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -30.617
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -376.987205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.987205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.987205 (E_RNA)
where:
Base-Base interactions energy: -258.707
where: short stacking energy: -135.547
Base-Backbone interact. energy: -1.731
local terms energy: -116.549202
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -350.092250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.092250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.092250 (E_RNA)
where:
Base-Base interactions energy: -229.232
where: short stacking energy: -123.516
Base-Backbone interact. energy: 0.410
local terms energy: -121.270124
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -321.884416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.884416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.884416 (E_RNA)
where:
Base-Base interactions energy: -217.492
where: short stacking energy: -110.086
Base-Backbone interact. energy: -0.394
local terms energy: -103.997762
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -312.628205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.628205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.628205 (E_RNA)
where:
Base-Base interactions energy: -205.490
where: short stacking energy: -103.162
Base-Backbone interact. energy: -0.236
local terms energy: -106.902759
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -262.182064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.182064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.182064 (E_RNA)
where:
Base-Base interactions energy: -172.156
where: short stacking energy: -90.742
Base-Backbone interact. energy: 3.644
local terms energy: -93.669684
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -218.325958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.325958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.325958 (E_RNA)
where:
Base-Base interactions energy: -135.362
where: short stacking energy: -81.515
Base-Backbone interact. energy: 0.377
local terms energy: -83.340985
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -203.353276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353276 (E_RNA)
where:
Base-Base interactions energy: -122.250
where: short stacking energy: -66.961
Base-Backbone interact. energy: -0.488
local terms energy: -80.614686
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -164.446895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.446895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.446895 (E_RNA)
where:
Base-Base interactions energy: -80.426
where: short stacking energy: -60.485
Base-Backbone interact. energy: 1.502
local terms energy: -85.521957
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -157.124116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.124116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.124116 (E_RNA)
where:
Base-Base interactions energy: -90.466
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.201
local terms energy: -66.456612
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -0.225
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: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -385.210455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.210455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.210455 (E_RNA)
where:
Base-Base interactions energy: -261.014
where: short stacking energy: -124.311
Base-Backbone interact. energy: -1.209
local terms energy: -122.987942
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -373.963618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.963618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.963618 (E_RNA)
where:
Base-Base interactions energy: -248.993
where: short stacking energy: -127.672
Base-Backbone interact. energy: -1.031
local terms energy: -123.939646
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -325.379001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.379001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.379001 (E_RNA)
where:
Base-Base interactions energy: -211.538
where: short stacking energy: -102.936
Base-Backbone interact. energy: -0.630
local terms energy: -113.211247
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -331.036939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.036939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.036939 (E_RNA)
where:
Base-Base interactions energy: -223.115
where: short stacking energy: -108.865
Base-Backbone interact. energy: -0.297
local terms energy: -107.625342
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -295.310766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.310766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.310766 (E_RNA)
where:
Base-Base interactions energy: -197.113
where: short stacking energy: -92.150
Base-Backbone interact. energy: -0.188
local terms energy: -98.009082
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -14.591
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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -258.661882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.661882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.661882 (E_RNA)
where:
Base-Base interactions energy: -164.625
where: short stacking energy: -94.237
Base-Backbone interact. energy: -0.271
local terms energy: -93.765775
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -20.321
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -222.063645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063645 (E_RNA)
where:
Base-Base interactions energy: -137.339
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.203
local terms energy: -84.521801
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -211.197083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197083 (E_RNA)
where:
Base-Base interactions energy: -120.396
where: short stacking energy: -69.739
Base-Backbone interact. energy: -1.021
local terms energy: -89.779775
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -14.666
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: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -122.268654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.268654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.268654 (E_RNA)
where:
Base-Base interactions energy: -49.773
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.620
local terms energy: -71.875094
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -114.541189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.541189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.541189 (E_RNA)
where:
Base-Base interactions energy: -48.985
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.081
local terms energy: -65.475150
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -373.623074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.623074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.623074 (E_RNA)
where:
Base-Base interactions energy: -257.246
where: short stacking energy: -119.877
Base-Backbone interact. energy: -1.244
local terms energy: -115.133182
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -365.683787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.683787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.683787 (E_RNA)
where:
Base-Base interactions energy: -242.368
where: short stacking energy: -113.701
Base-Backbone interact. energy: -1.980
local terms energy: -121.334924
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -28.542
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: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -337.005251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.005251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.005251 (E_RNA)
where:
Base-Base interactions energy: -220.408
where: short stacking energy: -118.534
Base-Backbone interact. energy: -0.002
local terms energy: -116.595753
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -319.219550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.219550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.219550 (E_RNA)
where:
Base-Base interactions energy: -214.026
where: short stacking energy: -100.987
Base-Backbone interact. energy: -0.660
local terms energy: -104.533585
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -304.453134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.453134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.453134 (E_RNA)
where:
Base-Base interactions energy: -199.230
where: short stacking energy: -100.778
Base-Backbone interact. energy: -1.301
local terms energy: -103.921983
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -298.442163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.442163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.442163 (E_RNA)
where:
Base-Base interactions energy: -191.244
where: short stacking energy: -83.379
Base-Backbone interact. energy: -0.247
local terms energy: -106.951597
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -235.125248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.125248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.125248 (E_RNA)
where:
Base-Base interactions energy: -143.119
where: short stacking energy: -69.083
Base-Backbone interact. energy: -0.176
local terms energy: -91.830116
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -15.007
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -216.260044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.260044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260044 (E_RNA)
where:
Base-Base interactions energy: -140.279
where: short stacking energy: -68.122
Base-Backbone interact. energy: -0.009
local terms energy: -75.971370
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -15.671
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -149.003474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.003474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.003474 (E_RNA)
where:
Base-Base interactions energy: -83.942
where: short stacking energy: -45.361
Base-Backbone interact. energy: -0.468
local terms energy: -64.593281
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: 3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -153.177698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.177698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.177698 (E_RNA)
where:
Base-Base interactions energy: -90.375
where: short stacking energy: -64.353
Base-Backbone interact. energy: 1.962
local terms energy: -64.764573
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -7.636
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -376.845126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.845126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.845126 (E_RNA)
where:
Base-Base interactions energy: -245.473
where: short stacking energy: -133.103
Base-Backbone interact. energy: -0.753
local terms energy: -130.619300
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -21.668
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: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -361.687067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.687067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.687067 (E_RNA)
where:
Base-Base interactions energy: -241.853
where: short stacking energy: -114.639
Base-Backbone interact. energy: -1.577
local terms energy: -118.256928
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -24.965
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: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -353.177632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.177632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.177632 (E_RNA)
where:
Base-Base interactions energy: -227.801
where: short stacking energy: -130.935
Base-Backbone interact. energy: -0.041
local terms energy: -125.334922
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -34.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -329.478678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.478678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.478678 (E_RNA)
where:
Base-Base interactions energy: -213.900
where: short stacking energy: -115.385
Base-Backbone interact. energy: -0.280
local terms energy: -115.298862
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -286.744601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.744601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.744601 (E_RNA)
where:
Base-Base interactions energy: -185.760
where: short stacking energy: -92.580
Base-Backbone interact. energy: -0.143
local terms energy: -100.840824
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -20.316
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -307.559157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.559157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.559157 (E_RNA)
where:
Base-Base interactions energy: -205.368
where: short stacking energy: -109.269
Base-Backbone interact. energy: 1.422
local terms energy: -103.613044
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -15.541
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: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -232.197334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.197334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.197334 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.017
local terms energy: -79.954684
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -18.082
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: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -207.255373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255373 (E_RNA)
where:
Base-Base interactions energy: -129.721
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.297
local terms energy: -77.237538
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -7.373
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: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -144.465248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.465248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.465248 (E_RNA)
where:
Base-Base interactions energy: -70.329
where: short stacking energy: -32.921
Base-Backbone interact. energy: -1.315
local terms energy: -72.820630
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: 2.430
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: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -157.955813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.955813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.955813 (E_RNA)
where:
Base-Base interactions energy: -93.379
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.872
local terms energy: -63.705143
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -379.282078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.282078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.282078 (E_RNA)
where:
Base-Base interactions energy: -251.738
where: short stacking energy: -128.466
Base-Backbone interact. energy: -0.744
local terms energy: -126.799713
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -33.367
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: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -362.952741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.952741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.952741 (E_RNA)
where:
Base-Base interactions energy: -252.647
where: short stacking energy: -107.836
Base-Backbone interact. energy: -1.148
local terms energy: -109.158436
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -332.316998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.316998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.316998 (E_RNA)
where:
Base-Base interactions energy: -214.617
where: short stacking energy: -114.817
Base-Backbone interact. energy: -0.837
local terms energy: -116.862280
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -29.215
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: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -333.442568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.442568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.442568 (E_RNA)
where:
Base-Base interactions energy: -229.755
where: short stacking energy: -106.567
Base-Backbone interact. energy: -1.039
local terms energy: -102.648133
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -28.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -311.545599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.545599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.545599 (E_RNA)
where:
Base-Base interactions energy: -214.001
where: short stacking energy: -105.257
Base-Backbone interact. energy: -0.450
local terms energy: -97.094493
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -26.712
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -20.986
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -303.068465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.068465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.068465 (E_RNA)
where:
Base-Base interactions energy: -205.806
where: short stacking energy: -95.145
Base-Backbone interact. energy: -0.092
local terms energy: -97.170430
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -206.751954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.751954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.751954 (E_RNA)
where:
Base-Base interactions energy: -113.369
where: short stacking energy: -84.251
Base-Backbone interact. energy: -0.978
local terms energy: -92.405250
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -218.903796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903796 (E_RNA)
where:
Base-Base interactions energy: -127.797
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.106
local terms energy: -91.000664
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -12.821
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: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -139.668652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.668652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.668652 (E_RNA)
where:
Base-Base interactions energy: -57.531
where: short stacking energy: -52.171
Base-Backbone interact. energy: -0.043
local terms energy: -82.094318
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -2.464
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: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -182.551070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.551070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.551070 (E_RNA)
where:
Base-Base interactions energy: -112.876
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.105
local terms energy: -69.570117
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -391.542812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.542812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.542812 (E_RNA)
where:
Base-Base interactions energy: -261.089
where: short stacking energy: -126.997
Base-Backbone interact. energy: -1.221
local terms energy: -129.232472
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -370.686133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.686133 (E_RNA)
where:
Base-Base interactions energy: -250.995
where: short stacking energy: -118.956
Base-Backbone interact. energy: -1.423
local terms energy: -118.268128
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -29.753
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -328.508123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.508123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.508123 (E_RNA)
where:
Base-Base interactions energy: -209.168
where: short stacking energy: -114.477
Base-Backbone interact. energy: -0.001
local terms energy: -119.339132
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -28.302
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: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -332.450221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.450221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.450221 (E_RNA)
where:
Base-Base interactions energy: -225.485
where: short stacking energy: -122.924
Base-Backbone interact. energy: -1.857
local terms energy: -105.108920
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -26.694
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -307.738270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.738270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.738270 (E_RNA)
where:
Base-Base interactions energy: -209.066
where: short stacking energy: -110.756
Base-Backbone interact. energy: 0.253
local terms energy: -98.925426
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -295.696881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.696881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.696881 (E_RNA)
where:
Base-Base interactions energy: -189.577
where: short stacking energy: -104.086
Base-Backbone interact. energy: -0.689
local terms energy: -105.431205
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -206.681217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.681217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.681217 (E_RNA)
where:
Base-Base interactions energy: -120.782
where: short stacking energy: -75.598
Base-Backbone interact. energy: 0.696
local terms energy: -86.595302
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -229.265102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.265102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.265102 (E_RNA)
where:
Base-Base interactions energy: -146.778
where: short stacking energy: -57.537
Base-Backbone interact. energy: -1.157
local terms energy: -81.329991
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -191.298192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.298192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.298192 (E_RNA)
where:
Base-Base interactions energy: -114.998
where: short stacking energy: -62.044
Base-Backbone interact. energy: 0.336
local terms energy: -76.636780
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -10.180
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: 322
Temperature: 1.350000
Total energy: -125.455046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.455046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.455046 (E_RNA)
where:
Base-Base interactions energy: -55.054
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.394
local terms energy: -70.007297
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -5.307
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -378.782218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.782218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.782218 (E_RNA)
where:
Base-Base interactions energy: -256.099
where: short stacking energy: -120.586
Base-Backbone interact. energy: -0.649
local terms energy: -122.034112
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -27.795
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: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -366.039480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.039480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.039480 (E_RNA)
where:
Base-Base interactions energy: -251.395
where: short stacking energy: -126.597
Base-Backbone interact. energy: -0.281
local terms energy: -114.363113
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -29.220
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -345.485652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.485652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.485652 (E_RNA)
where:
Base-Base interactions energy: -224.074
where: short stacking energy: -119.395
Base-Backbone interact. energy: -0.002
local terms energy: -121.409865
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -30.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -342.311465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.311465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.311465 (E_RNA)
where:
Base-Base interactions energy: -234.851
where: short stacking energy: -123.895
Base-Backbone interact. energy: -0.064
local terms energy: -107.396320
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -30.388
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -312.772659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.772659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.772659 (E_RNA)
where:
Base-Base interactions energy: -206.877
where: short stacking energy: -97.545
Base-Backbone interact. energy: -2.885
local terms energy: -103.010033
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -285.110711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.110711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.110711 (E_RNA)
where:
Base-Base interactions energy: -191.344
where: short stacking energy: -98.401
Base-Backbone interact. energy: 0.117
local terms energy: -93.883891
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -215.763438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.763438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.763438 (E_RNA)
where:
Base-Base interactions energy: -120.528
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.058
local terms energy: -95.177367
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -17.673
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -211.589183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.589183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.589183 (E_RNA)
where:
Base-Base interactions energy: -128.721
where: short stacking energy: -69.788
Base-Backbone interact. energy: 0.872
local terms energy: -83.740704
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -208.530037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.530037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.530037 (E_RNA)
where:
Base-Base interactions energy: -127.432
where: short stacking energy: -72.447
Base-Backbone interact. energy: -0.151
local terms energy: -80.946541
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -10.418
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: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -128.352790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.352790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.352790 (E_RNA)
where:
Base-Base interactions energy: -59.022
where: short stacking energy: -36.833
Base-Backbone interact. energy: -0.143
local terms energy: -69.187194
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: 3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -376.773641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.773641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.773641 (E_RNA)
where:
Base-Base interactions energy: -255.250
where: short stacking energy: -124.363
Base-Backbone interact. energy: -0.597
local terms energy: -120.926304
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -369.648626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.648626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.648626 (E_RNA)
where:
Base-Base interactions energy: -247.149
where: short stacking energy: -124.788
Base-Backbone interact. energy: -0.526
local terms energy: -121.973804
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -32.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -343.840574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.840574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.840574 (E_RNA)
where:
Base-Base interactions energy: -230.565
where: short stacking energy: -122.651
Base-Backbone interact. energy: -0.118
local terms energy: -113.157664
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -29.448
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -337.366092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.366092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.366092 (E_RNA)
where:
Base-Base interactions energy: -229.546
where: short stacking energy: -120.534
Base-Backbone interact. energy: 0.502
local terms energy: -108.322183
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -27.866
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -306.953152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.953152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.953152 (E_RNA)
where:
Base-Base interactions energy: -210.650
where: short stacking energy: -110.115
Base-Backbone interact. energy: -0.223
local terms energy: -96.080470
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -24.581
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -267.620992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.620992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.620992 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -73.841
Base-Backbone interact. energy: 0.211
local terms energy: -108.695183
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -195.597059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.597059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.597059 (E_RNA)
where:
Base-Base interactions energy: -110.042
where: short stacking energy: -75.114
Base-Backbone interact. energy: -0.193
local terms energy: -85.362965
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -213.168491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.168491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168491 (E_RNA)
where:
Base-Base interactions energy: -127.899
where: short stacking energy: -74.219
Base-Backbone interact. energy: -1.039
local terms energy: -84.229662
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -202.357333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.357333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.357333 (E_RNA)
where:
Base-Base interactions energy: -120.050
where: short stacking energy: -71.776
Base-Backbone interact. energy: -0.174
local terms energy: -82.132624
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -124.891086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.891086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.891086 (E_RNA)
where:
Base-Base interactions energy: -48.695
where: short stacking energy: -48.245
Base-Backbone interact. energy: 0.096
local terms energy: -76.292601
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -4.399
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: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -379.398251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.398251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.398251 (E_RNA)
where:
Base-Base interactions energy: -260.702
where: short stacking energy: -118.551
Base-Backbone interact. energy: -1.989
local terms energy: -116.706898
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -385.422382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.422382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.422382 (E_RNA)
where:
Base-Base interactions energy: -264.847
where: short stacking energy: -134.643
Base-Backbone interact. energy: -1.674
local terms energy: -118.900742
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -341.126027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.126027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.126027 (E_RNA)
where:
Base-Base interactions energy: -224.377
where: short stacking energy: -119.396
Base-Backbone interact. energy: -0.003
local terms energy: -116.746750
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -31.378
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: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -373.711329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.711329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.711329 (E_RNA)
where:
Base-Base interactions energy: -245.677
where: short stacking energy: -128.217
Base-Backbone interact. energy: -0.895
local terms energy: -127.138881
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -34.894
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: 325
Temperature: 1.100000
Total energy: -317.259366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.259366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.259366 (E_RNA)
where:
Base-Base interactions energy: -210.059
where: short stacking energy: -105.518
Base-Backbone interact. energy: -0.059
local terms energy: -107.140827
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -281.000055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.000055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.000055 (E_RNA)
where:
Base-Base interactions energy: -184.000
where: short stacking energy: -92.599
Base-Backbone interact. energy: -0.330
local terms energy: -96.670457
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -17.576
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -209.292063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.292063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.292063 (E_RNA)
where:
Base-Base interactions energy: -119.388
where: short stacking energy: -76.376
Base-Backbone interact. energy: 0.007
local terms energy: -89.911122
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -18.282
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: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -198.805980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.805980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.805980 (E_RNA)
where:
Base-Base interactions energy: -110.292
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.146
local terms energy: -88.367546
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -193.937593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.937593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.937593 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.234
local terms energy: -81.483410
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -18.014
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: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -119.339195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.339195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.339195 (E_RNA)
where:
Base-Base interactions energy: -45.729
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.294
local terms energy: -73.316167
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -388.215082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.215082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.215082 (E_RNA)
where:
Base-Base interactions energy: -269.188
where: short stacking energy: -138.759
Base-Backbone interact. energy: -1.925
local terms energy: -117.101675
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -32.873
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -364.313967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.313967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.313967 (E_RNA)
where:
Base-Base interactions energy: -241.120
where: short stacking energy: -116.245
Base-Backbone interact. energy: -1.016
local terms energy: -122.177607
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -375.930696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.930696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.930696 (E_RNA)
where:
Base-Base interactions energy: -253.224
where: short stacking energy: -142.147
Base-Backbone interact. energy: -0.051
local terms energy: -122.656248
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -334.841419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.841419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.841419 (E_RNA)
where:
Base-Base interactions energy: -224.956
where: short stacking energy: -115.263
Base-Backbone interact. energy: 0.744
local terms energy: -110.629629
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -29.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -295.174271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.174271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.174271 (E_RNA)
where:
Base-Base interactions energy: -203.197
where: short stacking energy: -105.670
Base-Backbone interact. energy: -0.155
local terms energy: -91.822364
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -23.054
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -298.211707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.211707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.211707 (E_RNA)
where:
Base-Base interactions energy: -202.623
where: short stacking energy: -106.191
Base-Backbone interact. energy: -0.344
local terms energy: -95.244706
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -237.273947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273947 (E_RNA)
where:
Base-Base interactions energy: -145.509
where: short stacking energy: -85.960
Base-Backbone interact. energy: 0.847
local terms energy: -92.612085
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -177.672313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.672313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.672313 (E_RNA)
where:
Base-Base interactions energy: -98.690
where: short stacking energy: -46.450
Base-Backbone interact. energy: -1.521
local terms energy: -77.461842
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -0.165
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -196.867094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.867094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.867094 (E_RNA)
where:
Base-Base interactions energy: -115.676
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.760
local terms energy: -80.431088
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -8.546
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: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -121.839618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.839618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.839618 (E_RNA)
where:
Base-Base interactions energy: -51.093
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.558
local terms energy: -70.188265
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: 2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -380.972135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.972135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.972135 (E_RNA)
where:
Base-Base interactions energy: -249.356
where: short stacking energy: -122.287
Base-Backbone interact. energy: -0.944
local terms energy: -130.671175
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -31.629
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: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -385.846474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.846474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.846474 (E_RNA)
where:
Base-Base interactions energy: -259.484
where: short stacking energy: -130.956
Base-Backbone interact. energy: 1.490
local terms energy: -127.852492
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -36.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -356.015000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.015000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.015000 (E_RNA)
where:
Base-Base interactions energy: -245.473
where: short stacking energy: -116.374
Base-Backbone interact. energy: -0.479
local terms energy: -110.062688
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -25.173
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -350.024582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.024582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.024582 (E_RNA)
where:
Base-Base interactions energy: -230.384
where: short stacking energy: -119.868
Base-Backbone interact. energy: -0.339
local terms energy: -119.301536
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -300.863799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.863799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.863799 (E_RNA)
where:
Base-Base interactions energy: -193.063
where: short stacking energy: -96.768
Base-Backbone interact. energy: -0.358
local terms energy: -107.442652
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -310.935034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.935034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.935034 (E_RNA)
where:
Base-Base interactions energy: -202.609
where: short stacking energy: -104.697
Base-Backbone interact. energy: -0.120
local terms energy: -108.206313
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -241.108712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.108712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.108712 (E_RNA)
where:
Base-Base interactions energy: -147.095
where: short stacking energy: -85.184
Base-Backbone interact. energy: -0.116
local terms energy: -93.897619
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -24.205
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -192.440943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.440943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.440943 (E_RNA)
where:
Base-Base interactions energy: -118.147
where: short stacking energy: -69.057
Base-Backbone interact. energy: -0.284
local terms energy: -74.009459
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -168.347944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.347944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.347944 (E_RNA)
where:
Base-Base interactions energy: -88.942
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.391
local terms energy: -79.014675
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -2.617
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: 327
Temperature: 1.350000
Total energy: -137.677188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.677188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.677188 (E_RNA)
where:
Base-Base interactions energy: -54.481
where: short stacking energy: -53.866
Base-Backbone interact. energy: -0.169
local terms energy: -83.027861
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -396.985038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.985038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.985038 (E_RNA)
where:
Base-Base interactions energy: -269.704
where: short stacking energy: -142.672
Base-Backbone interact. energy: -0.232
local terms energy: -127.049194
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -38.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -380.552771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.552771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.552771 (E_RNA)
where:
Base-Base interactions energy: -254.842
where: short stacking energy: -130.307
Base-Backbone interact. energy: -1.148
local terms energy: -124.563000
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -341.201947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.201947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.201947 (E_RNA)
where:
Base-Base interactions energy: -218.267
where: short stacking energy: -123.700
Base-Backbone interact. energy: -0.049
local terms energy: -122.885791
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -333.492834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.492834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.492834 (E_RNA)
where:
Base-Base interactions energy: -231.777
where: short stacking energy: -113.751
Base-Backbone interact. energy: -1.059
local terms energy: -100.656531
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -314.572194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.572194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.572194 (E_RNA)
where:
Base-Base interactions energy: -204.575
where: short stacking energy: -109.185
Base-Backbone interact. energy: -0.835
local terms energy: -109.162952
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -319.084821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.084821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.084821 (E_RNA)
where:
Base-Base interactions energy: -211.328
where: short stacking energy: -101.188
Base-Backbone interact. energy: -1.550
local terms energy: -106.206364
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -198.993525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.993525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.993525 (E_RNA)
where:
Base-Base interactions energy: -114.457
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.510
local terms energy: -84.026584
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -235.254632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.254632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.254632 (E_RNA)
where:
Base-Base interactions energy: -137.960
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.213
local terms energy: -97.081605
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -144.756295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.756295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.756295 (E_RNA)
where:
Base-Base interactions energy: -60.430
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.147
local terms energy: -84.178895
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -153.150011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.150011 (E_RNA)
where:
Base-Base interactions energy: -76.090
where: short stacking energy: -45.829
Base-Backbone interact. energy: -0.948
local terms energy: -76.112097
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -392.223699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.223699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.223699 (E_RNA)
where:
Base-Base interactions energy: -260.969
where: short stacking energy: -135.321
Base-Backbone interact. energy: -0.714
local terms energy: -130.540796
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -376.344012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.344012 (E_RNA)
where:
Base-Base interactions energy: -255.236
where: short stacking energy: -130.263
Base-Backbone interact. energy: -1.625
local terms energy: -119.482430
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -351.512950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.512950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.512950 (E_RNA)
where:
Base-Base interactions energy: -227.439
where: short stacking energy: -130.586
Base-Backbone interact. energy: -0.161
local terms energy: -123.912703
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -317.406744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.406744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.406744 (E_RNA)
where:
Base-Base interactions energy: -200.889
where: short stacking energy: -113.741
Base-Backbone interact. energy: -1.437
local terms energy: -115.080441
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -26.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -334.140258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.140258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.140258 (E_RNA)
where:
Base-Base interactions energy: -228.170
where: short stacking energy: -116.680
Base-Backbone interact. energy: -0.302
local terms energy: -105.667601
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -21.813
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -285.642585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.642585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.642585 (E_RNA)
where:
Base-Base interactions energy: -182.870
where: short stacking energy: -82.743
Base-Backbone interact. energy: -1.143
local terms energy: -101.629913
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -23.327
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -199.553636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.553636 (E_RNA)
where:
Base-Base interactions energy: -119.629
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.298
local terms energy: -79.627111
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -7.891
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: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -226.567032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.567032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.567032 (E_RNA)
where:
Base-Base interactions energy: -129.843
where: short stacking energy: -66.326
Base-Backbone interact. energy: -0.305
local terms energy: -96.418789
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -131.323429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.323429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.323429 (E_RNA)
where:
Base-Base interactions energy: -54.794
where: short stacking energy: -53.394
Base-Backbone interact. energy: 0.157
local terms energy: -76.686434
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -6.730
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -150.205460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.205460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.205460 (E_RNA)
where:
Base-Base interactions energy: -76.114
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.725
local terms energy: -73.366796
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -3.572
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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -393.198375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.198375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.198375 (E_RNA)
where:
Base-Base interactions energy: -265.780
where: short stacking energy: -129.888
Base-Backbone interact. energy: -1.277
local terms energy: -126.141196
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -32.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -377.708639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.708639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.708639 (E_RNA)
where:
Base-Base interactions energy: -255.462
where: short stacking energy: -139.040
Base-Backbone interact. energy: -0.804
local terms energy: -121.443117
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -35.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -326.209146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.209146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.209146 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -112.230
Base-Backbone interact. energy: -0.039
local terms energy: -118.528295
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -334.296777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.296777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.296777 (E_RNA)
where:
Base-Base interactions energy: -225.859
where: short stacking energy: -126.437
Base-Backbone interact. energy: -0.013
local terms energy: -108.424967
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -29.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -297.830057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.830057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.830057 (E_RNA)
where:
Base-Base interactions energy: -193.229
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.406
local terms energy: -104.195180
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -291.025927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.025927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.025927 (E_RNA)
where:
Base-Base interactions energy: -198.483
where: short stacking energy: -99.142
Base-Backbone interact. energy: 0.152
local terms energy: -92.694321
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -233.973148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973148 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.030
local terms energy: -108.019205
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -201.124569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.124569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124569 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -69.393
Base-Backbone interact. energy: -0.209
local terms energy: -88.094563
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -148.165815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.165815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.165815 (E_RNA)
where:
Base-Base interactions energy: -77.521
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.463
local terms energy: -70.182037
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -123.463849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.463849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.463849 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -41.964
Base-Backbone interact. energy: -0.608
local terms energy: -77.722577
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -392.373021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.373021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.373021 (E_RNA)
where:
Base-Base interactions energy: -263.117
where: short stacking energy: -132.194
Base-Backbone interact. energy: -1.085
local terms energy: -128.171022
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -375.250848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.250848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.250848 (E_RNA)
where:
Base-Base interactions energy: -254.053
where: short stacking energy: -124.759
Base-Backbone interact. energy: -0.290
local terms energy: -120.908397
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -29.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -331.098946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.098946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.098946 (E_RNA)
where:
Base-Base interactions energy: -210.992
where: short stacking energy: -113.297
Base-Backbone interact. energy: -0.047
local terms energy: -120.059594
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -28.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -323.944522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.944522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.944522 (E_RNA)
where:
Base-Base interactions energy: -210.775
where: short stacking energy: -107.240
Base-Backbone interact. energy: -0.697
local terms energy: -112.472419
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -23.304
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -318.563331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.563331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.563331 (E_RNA)
where:
Base-Base interactions energy: -210.515
where: short stacking energy: -114.797
Base-Backbone interact. energy: -0.119
local terms energy: -107.929514
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -20.213
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -286.724056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.724056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.724056 (E_RNA)
where:
Base-Base interactions energy: -194.198
where: short stacking energy: -94.976
Base-Backbone interact. energy: -0.282
local terms energy: -92.244025
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -226.987686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.987686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.987686 (E_RNA)
where:
Base-Base interactions energy: -148.127
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.281
local terms energy: -78.579584
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -223.341700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.341700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.341700 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -76.545
Base-Backbone interact. energy: 1.306
local terms energy: -92.023867
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -11.962
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: 331
Temperature: 1.300000
Total energy: -148.311341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.311341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.311341 (E_RNA)
where:
Base-Base interactions energy: -80.096
where: short stacking energy: -59.190
Base-Backbone interact. energy: 0.936
local terms energy: -69.151864
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -120.381800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.381800 (E_RNA)
where:
Base-Base interactions energy: -54.851
where: short stacking energy: -42.765
Base-Backbone interact. energy: 3.883
local terms energy: -69.414397
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.326
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: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -373.167354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.167354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.167354 (E_RNA)
where:
Base-Base interactions energy: -244.083
where: short stacking energy: -135.022
Base-Backbone interact. energy: -0.391
local terms energy: -128.694000
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -36.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -369.774847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.774847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.774847 (E_RNA)
where:
Base-Base interactions energy: -253.295
where: short stacking energy: -119.051
Base-Backbone interact. energy: -0.656
local terms energy: -115.824015
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -338.797626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.797626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.797626 (E_RNA)
where:
Base-Base interactions energy: -232.901
where: short stacking energy: -128.170
Base-Backbone interact. energy: -0.019
local terms energy: -105.878014
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -323.954115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.954115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.954115 (E_RNA)
where:
Base-Base interactions energy: -219.077
where: short stacking energy: -114.496
Base-Backbone interact. energy: -0.362
local terms energy: -104.515194
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -24.403
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: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -300.262815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.262815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.262815 (E_RNA)
where:
Base-Base interactions energy: -193.444
where: short stacking energy: -95.223
Base-Backbone interact. energy: -0.736
local terms energy: -106.082955
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -304.105206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.105206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.105206 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -98.921
Base-Backbone interact. energy: -0.619
local terms energy: -107.597658
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -24.075
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: 332
Temperature: 1.200000
Total energy: -190.683477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.683477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.683477 (E_RNA)
where:
Base-Base interactions energy: -107.272
where: short stacking energy: -61.648
Base-Backbone interact. energy: -1.670
local terms energy: -81.741207
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -212.309531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.309531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.309531 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.719
local terms energy: -86.157839
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -134.857267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.857267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.857267 (E_RNA)
where:
Base-Base interactions energy: -60.578
where: short stacking energy: -50.941
Base-Backbone interact. energy: 0.178
local terms energy: -74.456684
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -123.351448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.351448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.351448 (E_RNA)
where:
Base-Base interactions energy: -67.170
where: short stacking energy: -63.632
Base-Backbone interact. energy: 0.407
local terms energy: -56.588251
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -387.227520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.227520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.227520 (E_RNA)
where:
Base-Base interactions energy: -254.314
where: short stacking energy: -132.935
Base-Backbone interact. energy: -0.761
local terms energy: -132.152588
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -38.534
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: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -368.252763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.252763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.252763 (E_RNA)
where:
Base-Base interactions energy: -255.389
where: short stacking energy: -125.535
Base-Backbone interact. energy: -1.339
local terms energy: -111.524393
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -29.220
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: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -348.223716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.223716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.223716 (E_RNA)
where:
Base-Base interactions energy: -232.550
where: short stacking energy: -129.601
Base-Backbone interact. energy: -0.123
local terms energy: -115.550979
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -34.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -315.185665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.185665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.185665 (E_RNA)
where:
Base-Base interactions energy: -210.097
where: short stacking energy: -99.323
Base-Backbone interact. energy: -0.109
local terms energy: -104.979053
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -318.865281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.865281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.865281 (E_RNA)
where:
Base-Base interactions energy: -205.762
where: short stacking energy: -118.449
Base-Backbone interact. energy: -0.753
local terms energy: -112.350824
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -35.710
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: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -222.158048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.158048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.158048 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -81.054
Base-Backbone interact. energy: -0.970
local terms energy: -94.999048
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -14.875
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: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -293.110317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.110317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.110317 (E_RNA)
where:
Base-Base interactions energy: -192.986
where: short stacking energy: -96.387
Base-Backbone interact. energy: -0.883
local terms energy: -99.241165
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -19.194
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: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -221.803165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.803165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.803165 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -83.192
Base-Backbone interact. energy: -0.086
local terms energy: -98.335054
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -16.380
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -128.925609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.925609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.925609 (E_RNA)
where:
Base-Base interactions energy: -63.270
where: short stacking energy: -49.434
Base-Backbone interact. energy: 1.501
local terms energy: -67.156374
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: 3.532
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: 333
Temperature: 1.350000
Total energy: -124.709176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.709176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.709176 (E_RNA)
where:
Base-Base interactions energy: -45.189
where: short stacking energy: -46.089
Base-Backbone interact. energy: -0.223
local terms energy: -79.296395
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -390.160348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.160348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.160348 (E_RNA)
where:
Base-Base interactions energy: -261.526
where: short stacking energy: -139.537
Base-Backbone interact. energy: -0.185
local terms energy: -128.450259
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -36.871
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: 334
Temperature: 0.950000
Total energy: -376.803114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.803114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.803114 (E_RNA)
where:
Base-Base interactions energy: -245.524
where: short stacking energy: -121.966
Base-Backbone interact. energy: -1.469
local terms energy: -129.810092
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -33.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -343.375704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.375704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.375704 (E_RNA)
where:
Base-Base interactions energy: -231.948
where: short stacking energy: -121.660
Base-Backbone interact. energy: -0.107
local terms energy: -111.320752
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -25.887
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: 334
Temperature: 1.050000
Total energy: -324.273001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.273001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.273001 (E_RNA)
where:
Base-Base interactions energy: -198.364
where: short stacking energy: -102.550
Base-Backbone interact. energy: 1.187
local terms energy: -127.096127
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -31.809
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: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -284.034239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.034239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.034239 (E_RNA)
where:
Base-Base interactions energy: -204.223
where: short stacking energy: -98.473
Base-Backbone interact. energy: -0.677
local terms energy: -79.134374
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -213.302697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.302697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302697 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -75.142
Base-Backbone interact. energy: -0.060
local terms energy: -90.215679
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -17.185
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -312.619022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.619022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.619022 (E_RNA)
where:
Base-Base interactions energy: -205.944
where: short stacking energy: -103.924
Base-Backbone interact. energy: -0.014
local terms energy: -106.661847
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -211.724894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.724894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.724894 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -71.873
Base-Backbone interact. energy: -0.071
local terms energy: -80.096399
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -128.720313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.720313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.720313 (E_RNA)
where:
Base-Base interactions energy: -60.432
where: short stacking energy: -40.575
Base-Backbone interact. energy: -1.233
local terms energy: -67.055073
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -120.794626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.794626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.794626 (E_RNA)
where:
Base-Base interactions energy: -51.594
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.846
local terms energy: -68.353744
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -4.086
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: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -391.623425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.623425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.623425 (E_RNA)
where:
Base-Base interactions energy: -262.044
where: short stacking energy: -129.769
Base-Backbone interact. energy: -0.170
local terms energy: -129.409708
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -358.938842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.938842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.938842 (E_RNA)
where:
Base-Base interactions energy: -241.948
where: short stacking energy: -124.481
Base-Backbone interact. energy: -0.908
local terms energy: -116.082769
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -349.625926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.625926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.625926 (E_RNA)
where:
Base-Base interactions energy: -228.929
where: short stacking energy: -116.126
Base-Backbone interact. energy: -0.060
local terms energy: -120.636525
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -31.639
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: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -317.903380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.903380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.903380 (E_RNA)
where:
Base-Base interactions energy: -210.379
where: short stacking energy: -105.684
Base-Backbone interact. energy: -0.725
local terms energy: -106.799231
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -298.866851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.866851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.866851 (E_RNA)
where:
Base-Base interactions energy: -189.909
where: short stacking energy: -91.674
Base-Backbone interact. energy: 0.683
local terms energy: -109.641450
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -18.820
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: 335
Temperature: 1.150000
Total energy: -308.588863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.588863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.588863 (E_RNA)
where:
Base-Base interactions energy: -197.530
where: short stacking energy: -102.666
Base-Backbone interact. energy: -0.514
local terms energy: -110.544725
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -23.851
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -209.359347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.359347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.359347 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.449
local terms energy: -78.265753
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -203.269276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.269276 (E_RNA)
where:
Base-Base interactions energy: -111.445
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.239
local terms energy: -91.585115
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -140.954433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.954433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.954433 (E_RNA)
where:
Base-Base interactions energy: -61.067
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.486
local terms energy: -79.402075
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -3.598
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: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -122.271486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.271486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.271486 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -42.255
Base-Backbone interact. energy: -0.266
local terms energy: -79.750561
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -4.890
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: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -388.987282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.987282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.987282 (E_RNA)
where:
Base-Base interactions energy: -264.494
where: short stacking energy: -141.315
Base-Backbone interact. energy: 0.382
local terms energy: -124.874968
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -35.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -363.284415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.284415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.284415 (E_RNA)
where:
Base-Base interactions energy: -255.374
where: short stacking energy: -114.354
Base-Backbone interact. energy: 0.023
local terms energy: -107.934046
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -24.367
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -24.141
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: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -354.734143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.734143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.734143 (E_RNA)
where:
Base-Base interactions energy: -242.188
where: short stacking energy: -123.327
Base-Backbone interact. energy: -0.000
local terms energy: -112.545602
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -320.220779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.220779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.220779 (E_RNA)
where:
Base-Base interactions energy: -222.488
where: short stacking energy: -98.396
Base-Backbone interact. energy: 0.063
local terms energy: -97.796022
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -20.892
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: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -305.232715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.232715 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -110.751
Base-Backbone interact. energy: -0.223
local terms energy: -99.558142
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -26.779
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: 336
Temperature: 1.150000
Total energy: -292.916476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.916476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.916476 (E_RNA)
where:
Base-Base interactions energy: -200.901
where: short stacking energy: -103.556
Base-Backbone interact. energy: -0.700
local terms energy: -91.315852
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -218.522751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.522751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.522751 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.640
local terms energy: -87.976194
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -17.010
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -228.947660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.947660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.947660 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -73.482
Base-Backbone interact. energy: 0.224
local terms energy: -90.425150
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -121.960273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.960273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.960273 (E_RNA)
where:
Base-Base interactions energy: -62.010
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.394
local terms energy: -59.555983
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -0.992
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: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -133.821457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.821457 (E_RNA)
where:
Base-Base interactions energy: -45.044
where: short stacking energy: -42.454
Base-Backbone interact. energy: -0.184
local terms energy: -88.592816
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -394.987707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.987707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.987707 (E_RNA)
where:
Base-Base interactions energy: -267.277
where: short stacking energy: -138.294
Base-Backbone interact. energy: -1.103
local terms energy: -126.607594
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -363.717907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.717907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.717907 (E_RNA)
where:
Base-Base interactions energy: -245.540
where: short stacking energy: -126.718
Base-Backbone interact. energy: -0.355
local terms energy: -117.822542
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -371.876084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.876084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.876084 (E_RNA)
where:
Base-Base interactions energy: -247.833
where: short stacking energy: -123.681
Base-Backbone interact. energy: -0.662
local terms energy: -123.381688
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -32.373
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: 337
Temperature: 1.050000
Total energy: -327.319707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.319707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.319707 (E_RNA)
where:
Base-Base interactions energy: -222.299
where: short stacking energy: -118.684
Base-Backbone interact. energy: -0.201
local terms energy: -104.819329
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -308.030521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.030521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.030521 (E_RNA)
where:
Base-Base interactions energy: -203.025
where: short stacking energy: -99.225
Base-Backbone interact. energy: -0.655
local terms energy: -104.350599
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -286.690514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.690514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.690514 (E_RNA)
where:
Base-Base interactions energy: -194.986
where: short stacking energy: -92.875
Base-Backbone interact. energy: -0.234
local terms energy: -91.471244
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -12.043
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: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -221.141235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.141235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.141235 (E_RNA)
where:
Base-Base interactions energy: -131.471
where: short stacking energy: -69.031
Base-Backbone interact. energy: -1.323
local terms energy: -88.347037
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -14.523
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: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -209.336641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.336641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.336641 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -85.465
Base-Backbone interact. energy: -0.138
local terms energy: -77.085843
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -9.972
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: 337
Temperature: 1.300000
Total energy: -135.824259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.824259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.824259 (E_RNA)
where:
Base-Base interactions energy: -68.948
where: short stacking energy: -48.304
Base-Backbone interact. energy: 0.160
local terms energy: -67.036281
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.964
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: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -150.058207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.058207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.058207 (E_RNA)
where:
Base-Base interactions energy: -83.008
where: short stacking energy: -51.181
Base-Backbone interact. energy: 0.385
local terms energy: -67.434977
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -6.176
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: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -390.915940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.915940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.915940 (E_RNA)
where:
Base-Base interactions energy: -262.965
where: short stacking energy: -144.806
Base-Backbone interact. energy: -0.674
local terms energy: -127.276446
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -347.608709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.608709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.608709 (E_RNA)
where:
Base-Base interactions energy: -235.816
where: short stacking energy: -115.424
Base-Backbone interact. energy: -0.784
local terms energy: -111.009059
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -23.355
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -323.976658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.976658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.976658 (E_RNA)
where:
Base-Base interactions energy: -211.716
where: short stacking energy: -108.183
Base-Backbone interact. energy: -0.646
local terms energy: -111.614618
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -23.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -347.547337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.547337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.547337 (E_RNA)
where:
Base-Base interactions energy: -235.518
where: short stacking energy: -118.350
Base-Backbone interact. energy: -0.490
local terms energy: -111.539034
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -316.732502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.732502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.732502 (E_RNA)
where:
Base-Base interactions energy: -215.021
where: short stacking energy: -117.633
Base-Backbone interact. energy: -2.628
local terms energy: -99.082883
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -27.083
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: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -312.100461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.100461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.100461 (E_RNA)
where:
Base-Base interactions energy: -211.697
where: short stacking energy: -92.561
Base-Backbone interact. energy: -2.961
local terms energy: -97.442569
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -206.986245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.986245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.986245 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.179
local terms energy: -91.346748
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -7.956
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: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -183.564429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.564429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.564429 (E_RNA)
where:
Base-Base interactions energy: -104.573
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.417
local terms energy: -78.574934
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -12.302
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: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -145.124002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.124002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.124002 (E_RNA)
where:
Base-Base interactions energy: -47.676
where: short stacking energy: -47.876
Base-Backbone interact. energy: -0.059
local terms energy: -97.388434
where:
bonds (distance) C4'-P energy: -26.948
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -143.027366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.027366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.027366 (E_RNA)
where:
Base-Base interactions energy: -66.136
where: short stacking energy: -41.482
Base-Backbone interact. energy: -0.386
local terms energy: -76.504657
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -387.612286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.612286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.612286 (E_RNA)
where:
Base-Base interactions energy: -267.876
where: short stacking energy: -139.803
Base-Backbone interact. energy: -0.002
local terms energy: -119.734557
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -36.394
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -336.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.604516 (E_RNA)
where:
Base-Base interactions energy: -226.128
where: short stacking energy: -117.254
Base-Backbone interact. energy: -0.337
local terms energy: -110.139721
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -344.944783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.944783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.944783 (E_RNA)
where:
Base-Base interactions energy: -234.871
where: short stacking energy: -113.217
Base-Backbone interact. energy: -0.855
local terms energy: -109.218846
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -29.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -347.060782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.060782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.060782 (E_RNA)
where:
Base-Base interactions energy: -230.140
where: short stacking energy: -108.115
Base-Backbone interact. energy: 0.355
local terms energy: -117.275384
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -344.925224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.925224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.925224 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -118.166
Base-Backbone interact. energy: -0.325
local terms energy: -115.383372
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -277.485873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.485873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.485873 (E_RNA)
where:
Base-Base interactions energy: -181.206
where: short stacking energy: -97.446
Base-Backbone interact. energy: -0.152
local terms energy: -96.128340
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -228.273692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.273692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.273692 (E_RNA)
where:
Base-Base interactions energy: -134.948
where: short stacking energy: -79.910
Base-Backbone interact. energy: 1.502
local terms energy: -94.827366
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -12.341
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: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -196.501495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.501495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.501495 (E_RNA)
where:
Base-Base interactions energy: -105.520
where: short stacking energy: -62.705
Base-Backbone interact. energy: -1.261
local terms energy: -89.720312
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -144.040962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.040962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.040962 (E_RNA)
where:
Base-Base interactions energy: -54.445
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.318
local terms energy: -89.278135
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -120.370135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.370135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.370135 (E_RNA)
where:
Base-Base interactions energy: -53.704
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.520
local terms energy: -66.146305
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -4.025
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: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -390.064106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.064106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.064106 (E_RNA)
where:
Base-Base interactions energy: -253.652
where: short stacking energy: -137.891
Base-Backbone interact. energy: -0.009
local terms energy: -136.403002
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -355.916236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.916236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.916236 (E_RNA)
where:
Base-Base interactions energy: -235.514
where: short stacking energy: -123.965
Base-Backbone interact. energy: -0.130
local terms energy: -120.272276
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -35.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -364.323988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.323988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.323988 (E_RNA)
where:
Base-Base interactions energy: -240.706
where: short stacking energy: -122.387
Base-Backbone interact. energy: -0.792
local terms energy: -122.826233
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -339.011411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.011411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.011411 (E_RNA)
where:
Base-Base interactions energy: -226.348
where: short stacking energy: -114.183
Base-Backbone interact. energy: -0.102
local terms energy: -112.560567
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -29.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -333.984193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.984193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.984193 (E_RNA)
where:
Base-Base interactions energy: -225.752
where: short stacking energy: -118.724
Base-Backbone interact. energy: -0.260
local terms energy: -107.972285
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -27.063
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -249.374193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.374193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.374193 (E_RNA)
where:
Base-Base interactions energy: -158.282
where: short stacking energy: -94.205
Base-Backbone interact. energy: -0.179
local terms energy: -90.913258
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -202.554664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.554664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.554664 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.124
local terms energy: -81.027689
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -7.584
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: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -204.803957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803957 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -60.478
Base-Backbone interact. energy: 0.799
local terms energy: -90.099101
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -134.835282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.835282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.835282 (E_RNA)
where:
Base-Base interactions energy: -59.335
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.277
local terms energy: -75.222523
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -9.666
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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -116.004558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.004558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.004558 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.409
local terms energy: -76.341224
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -387.279745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.279745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.279745 (E_RNA)
where:
Base-Base interactions energy: -258.346
where: short stacking energy: -135.137
Base-Backbone interact. energy: -0.346
local terms energy: -128.587795
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -34.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -351.760454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.760454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.760454 (E_RNA)
where:
Base-Base interactions energy: -235.145
where: short stacking energy: -119.001
Base-Backbone interact. energy: -0.073
local terms energy: -116.542486
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -30.146
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -368.843413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.843413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.843413 (E_RNA)
where:
Base-Base interactions energy: -243.860
where: short stacking energy: -121.929
Base-Backbone interact. energy: -0.855
local terms energy: -124.127816
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -30.884
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -325.591306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.591306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.591306 (E_RNA)
where:
Base-Base interactions energy: -213.883
where: short stacking energy: -105.129
Base-Backbone interact. energy: -1.255
local terms energy: -110.452674
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -309.588088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.588088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.588088 (E_RNA)
where:
Base-Base interactions energy: -203.765
where: short stacking energy: -108.116
Base-Backbone interact. energy: -0.439
local terms energy: -105.383212
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -254.333303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.333303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.333303 (E_RNA)
where:
Base-Base interactions energy: -173.801
where: short stacking energy: -73.024
Base-Backbone interact. energy: -0.748
local terms energy: -79.784391
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -230.814141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.814141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.814141 (E_RNA)
where:
Base-Base interactions energy: -146.428
where: short stacking energy: -85.103
Base-Backbone interact. energy: -0.433
local terms energy: -83.952507
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -216.679798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.679798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.679798 (E_RNA)
where:
Base-Base interactions energy: -125.002
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.220
local terms energy: -91.457835
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -14.512
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: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -137.922183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.922183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.922183 (E_RNA)
where:
Base-Base interactions energy: -54.249
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.172
local terms energy: -83.500986
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -130.587844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.587844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.587844 (E_RNA)
where:
Base-Base interactions energy: -51.942
where: short stacking energy: -51.942
Base-Backbone interact. energy: 1.622
local terms energy: -80.267106
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -397.198514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.198514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.198514 (E_RNA)
where:
Base-Base interactions energy: -273.818
where: short stacking energy: -134.081
Base-Backbone interact. energy: -0.052
local terms energy: -123.328026
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -26.157
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -31.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -362.688224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.688224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.688224 (E_RNA)
where:
Base-Base interactions energy: -244.747
where: short stacking energy: -117.868
Base-Backbone interact. energy: -0.507
local terms energy: -117.434308
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -335.937132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.937132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.937132 (E_RNA)
where:
Base-Base interactions energy: -221.978
where: short stacking energy: -117.757
Base-Backbone interact. energy: -0.012
local terms energy: -113.946296
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -364.237785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.237785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.237785 (E_RNA)
where:
Base-Base interactions energy: -247.826
where: short stacking energy: -121.447
Base-Backbone interact. energy: 0.310
local terms energy: -116.722318
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -34.169
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: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -314.753677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.753677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.753677 (E_RNA)
where:
Base-Base interactions energy: -203.831
where: short stacking energy: -110.020
Base-Backbone interact. energy: -0.104
local terms energy: -110.818449
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -27.585
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -241.964911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.964911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.964911 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.794
local terms energy: -80.289719
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -12.748
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: 342
Temperature: 1.200000
Total energy: -218.672285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672285 (E_RNA)
where:
Base-Base interactions energy: -130.883
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.326
local terms energy: -87.463838
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -189.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.270249 (E_RNA)
where:
Base-Base interactions energy: -115.564
where: short stacking energy: -64.548
Base-Backbone interact. energy: 0.697
local terms energy: -74.403545
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -140.778426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.778426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.778426 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -49.168
Base-Backbone interact. energy: -2.223
local terms energy: -75.831651
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -118.049144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.049144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.049144 (E_RNA)
where:
Base-Base interactions energy: -49.181
where: short stacking energy: -45.912
Base-Backbone interact. energy: 1.108
local terms energy: -69.976528
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -380.060140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.060140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.060140 (E_RNA)
where:
Base-Base interactions energy: -252.449
where: short stacking energy: -130.353
Base-Backbone interact. energy: -0.729
local terms energy: -126.882405
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -369.007271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.007271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.007271 (E_RNA)
where:
Base-Base interactions energy: -254.255
where: short stacking energy: -127.164
Base-Backbone interact. energy: -0.239
local terms energy: -114.513693
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -33.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -346.885349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.885349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.885349 (E_RNA)
where:
Base-Base interactions energy: -236.340
where: short stacking energy: -130.060
Base-Backbone interact. energy: -0.002
local terms energy: -110.543057
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -33.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -361.647430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.647430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.647430 (E_RNA)
where:
Base-Base interactions energy: -248.138
where: short stacking energy: -124.200
Base-Backbone interact. energy: -1.250
local terms energy: -112.259337
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -330.414439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.414439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.414439 (E_RNA)
where:
Base-Base interactions energy: -216.372
where: short stacking energy: -120.701
Base-Backbone interact. energy: -0.284
local terms energy: -113.758508
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -29.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -229.819986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.819986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819986 (E_RNA)
where:
Base-Base interactions energy: -147.283
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.273
local terms energy: -82.264642
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -218.823438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.823438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.823438 (E_RNA)
where:
Base-Base interactions energy: -132.607
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.245
local terms energy: -85.972181
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -14.124
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: 343
Temperature: 1.250000
Total energy: -210.992961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.992961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.992961 (E_RNA)
where:
Base-Base interactions energy: -118.404
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.621
local terms energy: -91.968211
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -134.147764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.147764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.147764 (E_RNA)
where:
Base-Base interactions energy: -54.761
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.290
local terms energy: -79.096552
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -124.731274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.731274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.731274 (E_RNA)
where:
Base-Base interactions energy: -56.342
where: short stacking energy: -56.342
Base-Backbone interact. energy: 1.152
local terms energy: -69.541293
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -390.537433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.537433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.537433 (E_RNA)
where:
Base-Base interactions energy: -262.783
where: short stacking energy: -129.461
Base-Backbone interact. energy: -0.140
local terms energy: -127.614321
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -35.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -360.723606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.723606 (E_RNA)
where:
Base-Base interactions energy: -236.444
where: short stacking energy: -124.415
Base-Backbone interact. energy: -1.108
local terms energy: -123.171266
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -356.516746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.516746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.516746 (E_RNA)
where:
Base-Base interactions energy: -235.293
where: short stacking energy: -113.182
Base-Backbone interact. energy: -1.175
local terms energy: -120.048805
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -28.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -329.692502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.692502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.692502 (E_RNA)
where:
Base-Base interactions energy: -218.774
where: short stacking energy: -114.336
Base-Backbone interact. energy: 0.772
local terms energy: -111.690628
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -28.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -313.898855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.898855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.898855 (E_RNA)
where:
Base-Base interactions energy: -203.081
where: short stacking energy: -106.687
Base-Backbone interact. energy: -0.132
local terms energy: -110.685891
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -250.837233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.837233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.837233 (E_RNA)
where:
Base-Base interactions energy: -150.742
where: short stacking energy: -82.418
Base-Backbone interact. energy: -0.768
local terms energy: -99.327402
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -223.103972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103972 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -78.127
Base-Backbone interact. energy: -0.109
local terms energy: -92.776823
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -215.981432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.981432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.981432 (E_RNA)
where:
Base-Base interactions energy: -123.159
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.056
local terms energy: -92.766283
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.370
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -133.751156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.751156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.751156 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.024
local terms energy: -81.898011
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -3.347
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: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -126.328540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.328540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.328540 (E_RNA)
where:
Base-Base interactions energy: -51.816
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.330
local terms energy: -74.183056
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -0.086
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -382.758491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.758491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.758491 (E_RNA)
where:
Base-Base interactions energy: -257.055
where: short stacking energy: -140.329
Base-Backbone interact. energy: -0.263
local terms energy: -125.441145
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -37.561
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -370.029384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.029384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.029384 (E_RNA)
where:
Base-Base interactions energy: -251.895
where: short stacking energy: -128.374
Base-Backbone interact. energy: -1.914
local terms energy: -116.220723
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -29.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -355.000824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.000824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.000824 (E_RNA)
where:
Base-Base interactions energy: -235.645
where: short stacking energy: -122.576
Base-Backbone interact. energy: -0.731
local terms energy: -118.624799
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -34.141
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: 345
Temperature: 1.050000
Total energy: -337.379192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.379192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.379192 (E_RNA)
where:
Base-Base interactions energy: -223.895
where: short stacking energy: -124.431
Base-Backbone interact. energy: -0.413
local terms energy: -113.071342
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -34.412
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: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -329.970940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.970940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.970940 (E_RNA)
where:
Base-Base interactions energy: -216.980
where: short stacking energy: -115.550
Base-Backbone interact. energy: -0.682
local terms energy: -112.309605
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -220.668944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668944 (E_RNA)
where:
Base-Base interactions energy: -137.679
where: short stacking energy: -86.792
Base-Backbone interact. energy: -0.518
local terms energy: -82.472658
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -251.557102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.557102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.557102 (E_RNA)
where:
Base-Base interactions energy: -157.894
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.264
local terms energy: -93.399291
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -17.643
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: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -211.094596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094596 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.320
local terms energy: -78.183336
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.299
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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -144.700591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.700591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.700591 (E_RNA)
where:
Base-Base interactions energy: -63.164
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.541
local terms energy: -80.995079
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -124.925119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.925119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.925119 (E_RNA)
where:
Base-Base interactions energy: -52.284
where: short stacking energy: -51.483
Base-Backbone interact. energy: 0.504
local terms energy: -73.144992
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -9.222
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: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -384.304704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.304704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.304704 (E_RNA)
where:
Base-Base interactions energy: -253.536
where: short stacking energy: -129.830
Base-Backbone interact. energy: -0.702
local terms energy: -130.066944
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -34.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -389.163300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.163300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.163300 (E_RNA)
where:
Base-Base interactions energy: -264.660
where: short stacking energy: -142.396
Base-Backbone interact. energy: -0.001
local terms energy: -124.502191
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -36.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -356.965256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.965256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.965256 (E_RNA)
where:
Base-Base interactions energy: -230.375
where: short stacking energy: -133.986
Base-Backbone interact. energy: -0.292
local terms energy: -126.298907
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -36.049
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: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -357.800681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.800681 (E_RNA)
where:
Base-Base interactions energy: -245.572
where: short stacking energy: -122.205
Base-Backbone interact. energy: -0.138
local terms energy: -112.091084
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -314.778772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.778772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.778772 (E_RNA)
where:
Base-Base interactions energy: -199.866
where: short stacking energy: -102.573
Base-Backbone interact. energy: -0.026
local terms energy: -114.886767
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -213.417660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.417660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.417660 (E_RNA)
where:
Base-Base interactions energy: -129.646
where: short stacking energy: -75.472
Base-Backbone interact. energy: -0.260
local terms energy: -83.511764
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.465
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -238.878898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.878898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.878898 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.972
local terms energy: -99.617537
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -220.254166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.254166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.254166 (E_RNA)
where:
Base-Base interactions energy: -146.273
where: short stacking energy: -72.639
Base-Backbone interact. energy: -0.367
local terms energy: -73.614467
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -13.736
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: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -145.505384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.505384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.505384 (E_RNA)
where:
Base-Base interactions energy: -64.520
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.296
local terms energy: -80.689923
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -117.556252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.556252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.556252 (E_RNA)
where:
Base-Base interactions energy: -45.602
where: short stacking energy: -42.970
Base-Backbone interact. energy: -0.120
local terms energy: -71.834706
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -385.996700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.996700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.996700 (E_RNA)
where:
Base-Base interactions energy: -263.259
where: short stacking energy: -137.065
Base-Backbone interact. energy: -1.119
local terms energy: -121.618286
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -359.854686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.854686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.854686 (E_RNA)
where:
Base-Base interactions energy: -238.040
where: short stacking energy: -122.875
Base-Backbone interact. energy: -0.334
local terms energy: -121.480143
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -31.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -341.761631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.761631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.761631 (E_RNA)
where:
Base-Base interactions energy: -227.994
where: short stacking energy: -126.297
Base-Backbone interact. energy: -0.925
local terms energy: -112.843024
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -348.848698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.848698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.848698 (E_RNA)
where:
Base-Base interactions energy: -235.014
where: short stacking energy: -124.132
Base-Backbone interact. energy: -0.453
local terms energy: -113.382425
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -30.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -318.726657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.726657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.726657 (E_RNA)
where:
Base-Base interactions energy: -196.485
where: short stacking energy: -88.013
Base-Backbone interact. energy: -0.492
local terms energy: -121.749276
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -22.207
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: 347
Temperature: 1.150000
Total energy: -256.299793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.299793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.299793 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -92.194
Base-Backbone interact. energy: -0.098
local terms energy: -97.977020
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -20.915
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -227.862318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.862318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.862318 (E_RNA)
where:
Base-Base interactions energy: -142.294
where: short stacking energy: -90.609
Base-Backbone interact. energy: -0.196
local terms energy: -85.373189
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -20.046
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: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -210.946804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.946804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.946804 (E_RNA)
where:
Base-Base interactions energy: -121.233
where: short stacking energy: -64.572
Base-Backbone interact. energy: 0.205
local terms energy: -89.918423
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -143.166227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.166227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.166227 (E_RNA)
where:
Base-Base interactions energy: -66.972
where: short stacking energy: -65.450
Base-Backbone interact. energy: 0.978
local terms energy: -77.172604
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -7.507
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -128.175335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.175335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.175335 (E_RNA)
where:
Base-Base interactions energy: -69.978
where: short stacking energy: -69.978
Base-Backbone interact. energy: -0.218
local terms energy: -57.979460
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: 1.631
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: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -376.005321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.005321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.005321 (E_RNA)
where:
Base-Base interactions energy: -255.698
where: short stacking energy: -129.367
Base-Backbone interact. energy: -0.566
local terms energy: -119.741713
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -384.401141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.401141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.401141 (E_RNA)
where:
Base-Base interactions energy: -263.160
where: short stacking energy: -126.253
Base-Backbone interact. energy: -0.162
local terms energy: -121.079079
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -347.768605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.768605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.768605 (E_RNA)
where:
Base-Base interactions energy: -228.781
where: short stacking energy: -115.721
Base-Backbone interact. energy: -0.033
local terms energy: -118.954551
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -31.642
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: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -329.454870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.454870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.454870 (E_RNA)
where:
Base-Base interactions energy: -211.122
where: short stacking energy: -112.165
Base-Backbone interact. energy: -0.085
local terms energy: -118.247217
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -25.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -306.150601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.150601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.150601 (E_RNA)
where:
Base-Base interactions energy: -201.782
where: short stacking energy: -107.080
Base-Backbone interact. energy: -0.069
local terms energy: -104.299770
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -26.512
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: 348
Temperature: 1.150000
Total energy: -267.295045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.295045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.295045 (E_RNA)
where:
Base-Base interactions energy: -173.322
where: short stacking energy: -108.140
Base-Backbone interact. energy: -0.099
local terms energy: -93.873697
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -225.141452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.141452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.141452 (E_RNA)
where:
Base-Base interactions energy: -145.811
where: short stacking energy: -71.831
Base-Backbone interact. energy: 1.351
local terms energy: -80.680944
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -209.976525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.976525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.976525 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.556
local terms energy: -89.731687
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -17.562
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -133.788436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.788436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.788436 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.093
local terms energy: -96.421488
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -120.416004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.416004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.416004 (E_RNA)
where:
Base-Base interactions energy: -47.224
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.138
local terms energy: -73.053986
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -8.077
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: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -382.207085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.207085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.207085 (E_RNA)
where:
Base-Base interactions energy: -262.469
where: short stacking energy: -132.168
Base-Backbone interact. energy: -1.651
local terms energy: -118.087177
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -32.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -387.044871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.044871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.044871 (E_RNA)
where:
Base-Base interactions energy: -265.126
where: short stacking energy: -138.139
Base-Backbone interact. energy: 1.503
local terms energy: -123.422354
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -353.803640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.803640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.803640 (E_RNA)
where:
Base-Base interactions energy: -239.062
where: short stacking energy: -115.825
Base-Backbone interact. energy: -1.611
local terms energy: -113.130498
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -31.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -306.118816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.118816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.118816 (E_RNA)
where:
Base-Base interactions energy: -196.583
where: short stacking energy: -102.171
Base-Backbone interact. energy: -0.463
local terms energy: -109.072623
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -313.289692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.289692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.289692 (E_RNA)
where:
Base-Base interactions energy: -214.626
where: short stacking energy: -117.380
Base-Backbone interact. energy: -0.002
local terms energy: -98.661457
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -28.752
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: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -265.951101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.951101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.951101 (E_RNA)
where:
Base-Base interactions energy: -169.655
where: short stacking energy: -99.142
Base-Backbone interact. energy: -0.611
local terms energy: -95.684813
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -23.996
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: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -254.176237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.176237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.176237 (E_RNA)
where:
Base-Base interactions energy: -156.718
where: short stacking energy: -81.189
Base-Backbone interact. energy: 0.115
local terms energy: -97.572725
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -19.901
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: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -213.620224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.620224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.620224 (E_RNA)
where:
Base-Base interactions energy: -130.257
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.952
local terms energy: -82.411143
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -12.938
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: 349
Temperature: 1.300000
Total energy: -154.595931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.595931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.595931 (E_RNA)
where:
Base-Base interactions energy: -77.934
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.227
local terms energy: -76.434115
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -115.566772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.566772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.566772 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.695
local terms energy: -77.583537
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -4.298
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: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -384.751720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.751720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.751720 (E_RNA)
where:
Base-Base interactions energy: -260.128
where: short stacking energy: -121.917
Base-Backbone interact. energy: -1.082
local terms energy: -123.542135
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -28.873
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: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -361.897982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.897982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.897982 (E_RNA)
where:
Base-Base interactions energy: -240.413
where: short stacking energy: -128.686
Base-Backbone interact. energy: -0.608
local terms energy: -120.876831
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -365.988121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.988121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.988121 (E_RNA)
where:
Base-Base interactions energy: -250.187
where: short stacking energy: -136.671
Base-Backbone interact. energy: -0.075
local terms energy: -115.725886
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -32.997
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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -323.422248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.422248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.422248 (E_RNA)
where:
Base-Base interactions energy: -223.275
where: short stacking energy: -108.522
Base-Backbone interact. energy: -1.374
local terms energy: -98.772537
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -21.468
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: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -306.486890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.486890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.486890 (E_RNA)
where:
Base-Base interactions energy: -197.291
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.338
local terms energy: -108.857898
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -248.277730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.277730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.277730 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.129
local terms energy: -98.673467
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -237.560972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.560972 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -88.147
Base-Backbone interact. energy: -0.597
local terms energy: -93.439103
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -223.631055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.631055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.631055 (E_RNA)
where:
Base-Base interactions energy: -137.305
where: short stacking energy: -74.447
Base-Backbone interact. energy: 0.753
local terms energy: -87.078738
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.496
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: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -154.195711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.195711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.195711 (E_RNA)
where:
Base-Base interactions energy: -86.227
where: short stacking energy: -46.562
Base-Backbone interact. energy: -0.467
local terms energy: -67.502043
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -0.204
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: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -132.890540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.890540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.890540 (E_RNA)
where:
Base-Base interactions energy: -64.274
where: short stacking energy: -64.274
Base-Backbone interact. energy: 5.795
local terms energy: -74.411850
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -8.719
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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -381.976870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.976870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.976870 (E_RNA)
where:
Base-Base interactions energy: -262.499
where: short stacking energy: -131.765
Base-Backbone interact. energy: -0.047
local terms energy: -119.430685
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -348.668079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.668079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.668079 (E_RNA)
where:
Base-Base interactions energy: -227.461
where: short stacking energy: -122.842
Base-Backbone interact. energy: -1.068
local terms energy: -120.139117
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -30.724
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: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -339.317059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.317059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.317059 (E_RNA)
where:
Base-Base interactions energy: -226.250
where: short stacking energy: -117.320
Base-Backbone interact. energy: -0.828
local terms energy: -112.238322
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -30.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -324.603282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.603282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.603282 (E_RNA)
where:
Base-Base interactions energy: -203.354
where: short stacking energy: -104.687
Base-Backbone interact. energy: -0.212
local terms energy: -121.037406
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -29.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -314.527337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.527337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.527337 (E_RNA)
where:
Base-Base interactions energy: -209.810
where: short stacking energy: -99.211
Base-Backbone interact. energy: -1.106
local terms energy: -103.610726
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -265.179977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.179977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.179977 (E_RNA)
where:
Base-Base interactions energy: -166.720
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.141
local terms energy: -98.318394
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -245.850523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.850523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.850523 (E_RNA)
where:
Base-Base interactions energy: -154.617
where: short stacking energy: -91.552
Base-Backbone interact. energy: -0.198
local terms energy: -91.035742
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -190.867120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867120 (E_RNA)
where:
Base-Base interactions energy: -104.589
where: short stacking energy: -70.055
Base-Backbone interact. energy: 0.470
local terms energy: -86.748364
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -136.043019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.043019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.043019 (E_RNA)
where:
Base-Base interactions energy: -53.767
where: short stacking energy: -46.335
Base-Backbone interact. energy: -1.261
local terms energy: -81.015546
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -0.622
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -110.209531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.209531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.209531 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -42.809
Base-Backbone interact. energy: 0.382
local terms energy: -65.077248
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: 1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -385.950870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.950870 (E_RNA)
where:
Base-Base interactions energy: -265.918
where: short stacking energy: -136.337
Base-Backbone interact. energy: -3.087
local terms energy: -116.946100
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -33.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -369.404513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.404513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.404513 (E_RNA)
where:
Base-Base interactions energy: -251.052
where: short stacking energy: -132.976
Base-Backbone interact. energy: -0.436
local terms energy: -117.916439
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -319.277518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.277518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.277518 (E_RNA)
where:
Base-Base interactions energy: -209.958
where: short stacking energy: -111.609
Base-Backbone interact. energy: -0.779
local terms energy: -108.541172
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -336.652404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.652404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.652404 (E_RNA)
where:
Base-Base interactions energy: -229.842
where: short stacking energy: -121.290
Base-Backbone interact. energy: -0.750
local terms energy: -106.060646
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -27.491
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -316.858368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.858368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.858368 (E_RNA)
where:
Base-Base interactions energy: -216.326
where: short stacking energy: -112.602
Base-Backbone interact. energy: -0.068
local terms energy: -100.464091
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -241.638586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.638586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.638586 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -75.072
Base-Backbone interact. energy: -0.431
local terms energy: -99.530866
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -14.912
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -274.873385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.873385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.873385 (E_RNA)
where:
Base-Base interactions energy: -181.564
where: short stacking energy: -101.125
Base-Backbone interact. energy: -0.153
local terms energy: -93.155715
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -17.868
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -193.228749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.228749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.228749 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.975
local terms energy: -67.711976
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: 0.845
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: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -142.508470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.508470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.508470 (E_RNA)
where:
Base-Base interactions energy: -62.797
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.117
local terms energy: -79.594448
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -136.493914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.493914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.493914 (E_RNA)
where:
Base-Base interactions energy: -61.510
where: short stacking energy: -49.075
Base-Backbone interact. energy: 2.044
local terms energy: -77.027915
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -3.896
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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -382.090724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.090724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.090724 (E_RNA)
where:
Base-Base interactions energy: -260.799
where: short stacking energy: -135.994
Base-Backbone interact. energy: -0.929
local terms energy: -120.363426
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -31.982
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: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -363.418537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.418537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.418537 (E_RNA)
where:
Base-Base interactions energy: -248.241
where: short stacking energy: -129.334
Base-Backbone interact. energy: -0.151
local terms energy: -115.026117
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -32.797
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -341.346269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.346269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.346269 (E_RNA)
where:
Base-Base interactions energy: -228.682
where: short stacking energy: -125.128
Base-Backbone interact. energy: -0.006
local terms energy: -112.658869
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -29.881
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: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -312.275328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.275328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.275328 (E_RNA)
where:
Base-Base interactions energy: -207.325
where: short stacking energy: -97.616
Base-Backbone interact. energy: -0.538
local terms energy: -104.412317
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -20.286
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: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -325.041440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.041440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.041440 (E_RNA)
where:
Base-Base interactions energy: -216.581
where: short stacking energy: -102.814
Base-Backbone interact. energy: -0.262
local terms energy: -108.198345
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -268.129883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.129883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.129883 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -92.096
Base-Backbone interact. energy: 0.257
local terms energy: -102.188800
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -27.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -241.114786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.114786 (E_RNA)
where:
Base-Base interactions energy: -141.334
where: short stacking energy: -80.071
Base-Backbone interact. energy: -0.337
local terms energy: -99.443810
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -208.310794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310794 (E_RNA)
where:
Base-Base interactions energy: -122.824
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.255
local terms energy: -85.231476
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -145.387800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.387800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.387800 (E_RNA)
where:
Base-Base interactions energy: -63.385
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.135
local terms energy: -81.867778
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -126.042029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.042029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.042029 (E_RNA)
where:
Base-Base interactions energy: -55.484
where: short stacking energy: -48.967
Base-Backbone interact. energy: 0.050
local terms energy: -70.607901
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -383.301847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.301847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.301847 (E_RNA)
where:
Base-Base interactions energy: -254.549
where: short stacking energy: -133.043
Base-Backbone interact. energy: -0.000
local terms energy: -128.752706
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -34.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -381.126341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.126341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.126341 (E_RNA)
where:
Base-Base interactions energy: -259.661
where: short stacking energy: -127.622
Base-Backbone interact. energy: -1.500
local terms energy: -119.965563
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -329.952883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.952883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.952883 (E_RNA)
where:
Base-Base interactions energy: -229.823
where: short stacking energy: -120.551
Base-Backbone interact. energy: -0.122
local terms energy: -100.007889
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -332.981259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.981259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.981259 (E_RNA)
where:
Base-Base interactions energy: -211.192
where: short stacking energy: -120.091
Base-Backbone interact. energy: -0.021
local terms energy: -121.767783
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -29.281
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -326.973624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.973624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.973624 (E_RNA)
where:
Base-Base interactions energy: -219.800
where: short stacking energy: -111.934
Base-Backbone interact. energy: -1.339
local terms energy: -105.834648
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -27.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -252.951711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.951711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.951711 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -84.938
Base-Backbone interact. energy: -0.564
local terms energy: -98.040634
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -239.338067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.338067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.338067 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.204
local terms energy: -93.440634
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -13.496
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: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -243.918043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.918043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.918043 (E_RNA)
where:
Base-Base interactions energy: -134.603
where: short stacking energy: -83.104
Base-Backbone interact. energy: -1.922
local terms energy: -107.393450
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -142.673849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.673849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.673849 (E_RNA)
where:
Base-Base interactions energy: -63.749
where: short stacking energy: -54.030
Base-Backbone interact. energy: 1.158
local terms energy: -80.083399
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -8.676
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: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -120.557192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.557192 (E_RNA)
where:
Base-Base interactions energy: -47.307
where: short stacking energy: -32.448
Base-Backbone interact. energy: 0.117
local terms energy: -73.367253
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: 2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -377.701131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.701131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.701131 (E_RNA)
where:
Base-Base interactions energy: -251.833
where: short stacking energy: -124.384
Base-Backbone interact. energy: -0.989
local terms energy: -124.878842
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -365.545598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.545598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.545598 (E_RNA)
where:
Base-Base interactions energy: -246.801
where: short stacking energy: -124.099
Base-Backbone interact. energy: -2.472
local terms energy: -116.272546
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -29.368
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: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -321.074564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.074564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.074564 (E_RNA)
where:
Base-Base interactions energy: -212.701
where: short stacking energy: -111.384
Base-Backbone interact. energy: -0.249
local terms energy: -108.125346
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -341.376350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.376350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.376350 (E_RNA)
where:
Base-Base interactions energy: -221.912
where: short stacking energy: -120.497
Base-Backbone interact. energy: 0.360
local terms energy: -119.824489
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -31.927
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: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -306.916862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.916862 (E_RNA)
where:
Base-Base interactions energy: -201.819
where: short stacking energy: -107.722
Base-Backbone interact. energy: -0.487
local terms energy: -104.611135
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -256.820651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.820651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.820651 (E_RNA)
where:
Base-Base interactions energy: -153.736
where: short stacking energy: -76.590
Base-Backbone interact. energy: -0.571
local terms energy: -102.513311
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -19.050
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: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -204.425820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.425820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.425820 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.741
local terms energy: -93.751714
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -202.776553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.776553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.776553 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -80.814
Base-Backbone interact. energy: -0.367
local terms energy: -78.107405
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -14.141
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: 355
Temperature: 1.300000
Total energy: -134.291075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.291075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.291075 (E_RNA)
where:
Base-Base interactions energy: -62.890
where: short stacking energy: -49.784
Base-Backbone interact. energy: 0.955
local terms energy: -72.355665
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -0.110
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: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -121.794200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.794200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.794200 (E_RNA)
where:
Base-Base interactions energy: -55.811
where: short stacking energy: -42.113
Base-Backbone interact. energy: -1.187
local terms energy: -64.796389
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: 6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -380.932991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.932991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.932991 (E_RNA)
where:
Base-Base interactions energy: -253.076
where: short stacking energy: -130.746
Base-Backbone interact. energy: -0.222
local terms energy: -127.634978
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -37.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -367.358607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.358607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.358607 (E_RNA)
where:
Base-Base interactions energy: -244.789
where: short stacking energy: -121.886
Base-Backbone interact. energy: -1.186
local terms energy: -121.383864
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -335.686586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.686586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.686586 (E_RNA)
where:
Base-Base interactions energy: -219.568
where: short stacking energy: -119.919
Base-Backbone interact. energy: -0.160
local terms energy: -115.958921
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -314.297378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.297378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.297378 (E_RNA)
where:
Base-Base interactions energy: -213.210
where: short stacking energy: -111.810
Base-Backbone interact. energy: -0.156
local terms energy: -100.931122
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -312.278796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.278796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.278796 (E_RNA)
where:
Base-Base interactions energy: -202.696
where: short stacking energy: -103.715
Base-Backbone interact. energy: -0.090
local terms energy: -109.492172
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -225.224154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224154 (E_RNA)
where:
Base-Base interactions energy: -132.819
where: short stacking energy: -85.515
Base-Backbone interact. energy: -0.445
local terms energy: -91.959682
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -211.751965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.751965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.751965 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -83.167
Base-Backbone interact. energy: 0.167
local terms energy: -82.515825
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -201.244411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.244411 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -74.747
Base-Backbone interact. energy: -0.064
local terms energy: -72.677122
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -150.504538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.504538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.504538 (E_RNA)
where:
Base-Base interactions energy: -57.967
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.121
local terms energy: -92.416154
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -122.700537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.700537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.700537 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -42.925
Base-Backbone interact. energy: -1.061
local terms energy: -77.766992
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -382.768134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.768134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.768134 (E_RNA)
where:
Base-Base interactions energy: -254.565
where: short stacking energy: -122.422
Base-Backbone interact. energy: -0.119
local terms energy: -128.084719
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -33.143
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: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -372.938033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.938033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.938033 (E_RNA)
where:
Base-Base interactions energy: -246.371
where: short stacking energy: -115.181
Base-Backbone interact. energy: -0.432
local terms energy: -126.134695
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -327.645423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.645423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.645423 (E_RNA)
where:
Base-Base interactions energy: -216.026
where: short stacking energy: -113.562
Base-Backbone interact. energy: -0.951
local terms energy: -110.668433
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -325.715434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.715434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.715434 (E_RNA)
where:
Base-Base interactions energy: -211.518
where: short stacking energy: -120.253
Base-Backbone interact. energy: -0.284
local terms energy: -113.913044
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -302.014918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.014918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.014918 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -101.459
Base-Backbone interact. energy: -0.128
local terms energy: -109.510985
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -24.510
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: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -247.983842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.983842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.983842 (E_RNA)
where:
Base-Base interactions energy: -143.585
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.142
local terms energy: -104.256922
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -25.788
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -20.989
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: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -242.814128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.814128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.814128 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -81.982
Base-Backbone interact. energy: -0.143
local terms energy: -89.541463
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -20.976
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: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -211.534682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534682 (E_RNA)
where:
Base-Base interactions energy: -125.368
where: short stacking energy: -70.587
Base-Backbone interact. energy: -0.613
local terms energy: -85.553182
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -168.730781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.730781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.730781 (E_RNA)
where:
Base-Base interactions energy: -85.115
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.169
local terms energy: -83.446740
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -122.275100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.275100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.275100 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -45.389
Base-Backbone interact. energy: -1.166
local terms energy: -68.996453
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -2.924
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: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -379.594216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.594216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.594216 (E_RNA)
where:
Base-Base interactions energy: -243.745
where: short stacking energy: -126.725
Base-Backbone interact. energy: -0.025
local terms energy: -135.824820
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -39.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -372.967133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.967133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.967133 (E_RNA)
where:
Base-Base interactions energy: -254.478
where: short stacking energy: -133.686
Base-Backbone interact. energy: -0.661
local terms energy: -117.828136
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -30.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -332.760110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.760110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.760110 (E_RNA)
where:
Base-Base interactions energy: -219.854
where: short stacking energy: -119.090
Base-Backbone interact. energy: 0.004
local terms energy: -112.909990
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -26.346
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -326.053702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.053702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.053702 (E_RNA)
where:
Base-Base interactions energy: -214.913
where: short stacking energy: -115.719
Base-Backbone interact. energy: -0.033
local terms energy: -111.107222
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -28.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -316.462192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.462192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.462192 (E_RNA)
where:
Base-Base interactions energy: -211.614
where: short stacking energy: -105.834
Base-Backbone interact. energy: -0.625
local terms energy: -104.222803
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -251.493798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.493798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.493798 (E_RNA)
where:
Base-Base interactions energy: -155.979
where: short stacking energy: -86.942
Base-Backbone interact. energy: -0.874
local terms energy: -94.641397
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -237.443223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.443223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.443223 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -87.831
Base-Backbone interact. energy: -0.425
local terms energy: -101.838326
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -23.219
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: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -212.118295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.118295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.118295 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.847
local terms energy: -87.954181
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -8.943
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -144.331806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.331806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.331806 (E_RNA)
where:
Base-Base interactions energy: -74.838
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.813
local terms energy: -68.680356
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -202.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.023415 (E_RNA)
where:
Base-Base interactions energy: -109.805
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.281
local terms energy: -91.937455
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -380.069282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.069282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.069282 (E_RNA)
where:
Base-Base interactions energy: -253.751
where: short stacking energy: -136.122
Base-Backbone interact. energy: -0.488
local terms energy: -125.829957
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -31.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -375.981530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.981530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.981530 (E_RNA)
where:
Base-Base interactions energy: -255.102
where: short stacking energy: -129.309
Base-Backbone interact. energy: -1.699
local terms energy: -119.180837
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -35.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -340.638970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.638970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.638970 (E_RNA)
where:
Base-Base interactions energy: -224.009
where: short stacking energy: -122.875
Base-Backbone interact. energy: -0.001
local terms energy: -116.628201
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -27.200
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: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -329.760426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.760426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.760426 (E_RNA)
where:
Base-Base interactions energy: -214.285
where: short stacking energy: -112.801
Base-Backbone interact. energy: -0.334
local terms energy: -115.141685
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -30.301
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: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -331.603552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.603552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.603552 (E_RNA)
where:
Base-Base interactions energy: -217.206
where: short stacking energy: -118.276
Base-Backbone interact. energy: -0.015
local terms energy: -114.382774
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -256.135305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.135305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.135305 (E_RNA)
where:
Base-Base interactions energy: -153.984
where: short stacking energy: -84.108
Base-Backbone interact. energy: -1.532
local terms energy: -100.620207
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -17.249
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -254.194712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.194712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.194712 (E_RNA)
where:
Base-Base interactions energy: -161.860
where: short stacking energy: -84.300
Base-Backbone interact. energy: -0.226
local terms energy: -92.108862
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -211.812557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.812557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.812557 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -79.902
Base-Backbone interact. energy: -0.058
local terms energy: -85.064139
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -163.877385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.877385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.877385 (E_RNA)
where:
Base-Base interactions energy: -87.831
where: short stacking energy: -63.743
Base-Backbone interact. energy: -2.195
local terms energy: -73.851113
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -182.661931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.661931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.661931 (E_RNA)
where:
Base-Base interactions energy: -111.519
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.011
local terms energy: -71.132067
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -12.656
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: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -381.727595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.727595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.727595 (E_RNA)
where:
Base-Base interactions energy: -256.944
where: short stacking energy: -132.571
Base-Backbone interact. energy: -1.224
local terms energy: -123.559450
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -367.585504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.585504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.585504 (E_RNA)
where:
Base-Base interactions energy: -242.387
where: short stacking energy: -124.585
Base-Backbone interact. energy: -1.613
local terms energy: -123.585962
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -30.706
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -349.459579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.459579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.459579 (E_RNA)
where:
Base-Base interactions energy: -240.860
where: short stacking energy: -121.874
Base-Backbone interact. energy: 1.473
local terms energy: -110.072818
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -24.997
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -325.975276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.975276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.975276 (E_RNA)
where:
Base-Base interactions energy: -214.988
where: short stacking energy: -115.492
Base-Backbone interact. energy: -1.625
local terms energy: -109.362678
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -325.593542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.593542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.593542 (E_RNA)
where:
Base-Base interactions energy: -210.003
where: short stacking energy: -110.982
Base-Backbone interact. energy: -0.324
local terms energy: -115.266450
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -31.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -282.635907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.635907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.635907 (E_RNA)
where:
Base-Base interactions energy: -173.974
where: short stacking energy: -102.072
Base-Backbone interact. energy: -0.041
local terms energy: -108.621165
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -246.584668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.584668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.584668 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -86.925
Base-Backbone interact. energy: -0.776
local terms energy: -98.658615
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -199.594171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.594171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.594171 (E_RNA)
where:
Base-Base interactions energy: -121.825
where: short stacking energy: -60.484
Base-Backbone interact. energy: 0.520
local terms energy: -78.289224
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -175.429219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.429219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.429219 (E_RNA)
where:
Base-Base interactions energy: -90.507
where: short stacking energy: -58.809
Base-Backbone interact. energy: 0.389
local terms energy: -85.311365
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -112.541631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.541631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.541631 (E_RNA)
where:
Base-Base interactions energy: -56.201
where: short stacking energy: -39.856
Base-Backbone interact. energy: -2.180
local terms energy: -54.160745
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -392.667789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.667789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.667789 (E_RNA)
where:
Base-Base interactions energy: -262.502
where: short stacking energy: -140.289
Base-Backbone interact. energy: -0.838
local terms energy: -129.327655
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -36.236
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -373.402062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.402062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.402062 (E_RNA)
where:
Base-Base interactions energy: -244.528
where: short stacking energy: -124.180
Base-Backbone interact. energy: -0.828
local terms energy: -128.045973
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -31.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -350.429837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.429837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.429837 (E_RNA)
where:
Base-Base interactions energy: -238.156
where: short stacking energy: -114.743
Base-Backbone interact. energy: 0.269
local terms energy: -112.541875
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -324.747058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.747058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.747058 (E_RNA)
where:
Base-Base interactions energy: -210.375
where: short stacking energy: -111.336
Base-Backbone interact. energy: -0.005
local terms energy: -114.366649
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -28.861
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: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -321.697632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.697632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.697632 (E_RNA)
where:
Base-Base interactions energy: -211.241
where: short stacking energy: -99.625
Base-Backbone interact. energy: -0.249
local terms energy: -110.208201
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -25.333
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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -248.439409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.439409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.439409 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -94.377
Base-Backbone interact. energy: -0.406
local terms energy: -100.511155
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -256.903236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.903236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.903236 (E_RNA)
where:
Base-Base interactions energy: -164.407
where: short stacking energy: -90.252
Base-Backbone interact. energy: 0.202
local terms energy: -92.697962
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -194.166690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.166690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.166690 (E_RNA)
where:
Base-Base interactions energy: -108.785
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.927
local terms energy: -84.454525
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -5.827
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: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -187.277005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.277005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.277005 (E_RNA)
where:
Base-Base interactions energy: -105.522
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.182
local terms energy: -81.572520
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -129.085872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.085872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.085872 (E_RNA)
where:
Base-Base interactions energy: -55.760
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.633
local terms energy: -72.692694
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -387.656970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.656970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.656970 (E_RNA)
where:
Base-Base interactions energy: -261.538
where: short stacking energy: -144.884
Base-Backbone interact. energy: -1.132
local terms energy: -124.986706
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -37.478
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -371.332816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.332816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.332816 (E_RNA)
where:
Base-Base interactions energy: -258.892
where: short stacking energy: -125.725
Base-Backbone interact. energy: -1.591
local terms energy: -110.850492
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -27.387
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: 362
Temperature: 1.000000
Total energy: -357.279004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.279004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.279004 (E_RNA)
where:
Base-Base interactions energy: -246.004
where: short stacking energy: -113.165
Base-Backbone interact. energy: -0.168
local terms energy: -111.106315
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -315.298109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.298109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.298109 (E_RNA)
where:
Base-Base interactions energy: -209.914
where: short stacking energy: -106.054
Base-Backbone interact. energy: -0.457
local terms energy: -104.928001
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -23.188
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: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -308.466784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.466784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.466784 (E_RNA)
where:
Base-Base interactions energy: -205.223
where: short stacking energy: -113.500
Base-Backbone interact. energy: -0.568
local terms energy: -102.676236
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -27.987
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: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -252.247684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.247684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.247684 (E_RNA)
where:
Base-Base interactions energy: -152.855
where: short stacking energy: -88.250
Base-Backbone interact. energy: -1.134
local terms energy: -98.258567
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -18.989
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: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -250.206672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.206672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.206672 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -85.950
Base-Backbone interact. energy: -0.416
local terms energy: -93.309544
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -178.738922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.738922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.738922 (E_RNA)
where:
Base-Base interactions energy: -105.482
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.454
local terms energy: -72.803335
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -189.646582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.646582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.646582 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.402
local terms energy: -74.299470
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -112.762870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.762870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.762870 (E_RNA)
where:
Base-Base interactions energy: -44.690
where: short stacking energy: -45.990
Base-Backbone interact. energy: -0.202
local terms energy: -67.870925
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -1.910
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: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -387.443726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.443726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.443726 (E_RNA)
where:
Base-Base interactions energy: -257.341
where: short stacking energy: -140.310
Base-Backbone interact. energy: -0.003
local terms energy: -130.099722
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -21.422
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -369.986804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.986804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.986804 (E_RNA)
where:
Base-Base interactions energy: -252.020
where: short stacking energy: -126.067
Base-Backbone interact. energy: -1.033
local terms energy: -116.933526
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -26.362
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -334.527493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.527493 (E_RNA)
where:
Base-Base interactions energy: -229.192
where: short stacking energy: -115.858
Base-Backbone interact. energy: 1.930
local terms energy: -107.264866
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -312.462498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.462498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.462498 (E_RNA)
where:
Base-Base interactions energy: -205.299
where: short stacking energy: -102.315
Base-Backbone interact. energy: -0.737
local terms energy: -106.427262
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -327.359912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.359912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.359912 (E_RNA)
where:
Base-Base interactions energy: -213.700
where: short stacking energy: -111.475
Base-Backbone interact. energy: -0.090
local terms energy: -113.570060
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -262.925425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.925425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.925425 (E_RNA)
where:
Base-Base interactions energy: -164.552
where: short stacking energy: -101.840
Base-Backbone interact. energy: -1.028
local terms energy: -97.345365
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -232.971629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.971629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.971629 (E_RNA)
where:
Base-Base interactions energy: -145.025
where: short stacking energy: -79.607
Base-Backbone interact. energy: -1.528
local terms energy: -86.418808
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -11.102
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: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -199.843285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.843285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.843285 (E_RNA)
where:
Base-Base interactions energy: -121.686
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.333
local terms energy: -77.824349
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -3.583
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: 363
Temperature: 1.300000
Total energy: -180.083371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.083371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.083371 (E_RNA)
where:
Base-Base interactions energy: -103.666
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.059
local terms energy: -76.357704
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -114.401029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.401029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.401029 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.302
local terms energy: -72.574352
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: 4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -385.105900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.105900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.105900 (E_RNA)
where:
Base-Base interactions energy: -253.756
where: short stacking energy: -126.238
Base-Backbone interact. energy: -1.029
local terms energy: -130.320510
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -35.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -384.231882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.231882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.231882 (E_RNA)
where:
Base-Base interactions energy: -252.188
where: short stacking energy: -129.822
Base-Backbone interact. energy: -0.392
local terms energy: -131.652392
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -341.802357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.802357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.802357 (E_RNA)
where:
Base-Base interactions energy: -229.345
where: short stacking energy: -122.974
Base-Backbone interact. energy: -0.190
local terms energy: -112.267293
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -331.086910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.086910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.086910 (E_RNA)
where:
Base-Base interactions energy: -226.033
where: short stacking energy: -114.063
Base-Backbone interact. energy: -0.097
local terms energy: -104.956066
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -313.619006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.619006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.619006 (E_RNA)
where:
Base-Base interactions energy: -213.575
where: short stacking energy: -104.459
Base-Backbone interact. energy: 2.634
local terms energy: -102.678166
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -258.004622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.004622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.004622 (E_RNA)
where:
Base-Base interactions energy: -149.922
where: short stacking energy: -95.306
Base-Backbone interact. energy: -0.987
local terms energy: -107.096115
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -19.868
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: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -205.493684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.493684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.493684 (E_RNA)
where:
Base-Base interactions energy: -125.588
where: short stacking energy: -68.670
Base-Backbone interact. energy: 2.632
local terms energy: -82.538089
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -190.905562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.905562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.905562 (E_RNA)
where:
Base-Base interactions energy: -114.058
where: short stacking energy: -72.934
Base-Backbone interact. energy: 0.206
local terms energy: -77.052631
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -184.475514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.475514 (E_RNA)
where:
Base-Base interactions energy: -102.841
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.290
local terms energy: -81.344836
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -116.475805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.475805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.475805 (E_RNA)
where:
Base-Base interactions energy: -44.387
where: short stacking energy: -41.829
Base-Backbone interact. energy: 0.031
local terms energy: -72.119718
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -384.761547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.761547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.761547 (E_RNA)
where:
Base-Base interactions energy: -263.586
where: short stacking energy: -136.602
Base-Backbone interact. energy: 1.069
local terms energy: -122.244886
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -28.025
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -31.986
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: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -392.427757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.427757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.427757 (E_RNA)
where:
Base-Base interactions energy: -265.549
where: short stacking energy: -139.192
Base-Backbone interact. energy: -0.570
local terms energy: -126.308939
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -337.099321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.099321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.099321 (E_RNA)
where:
Base-Base interactions energy: -224.312
where: short stacking energy: -115.622
Base-Backbone interact. energy: -0.222
local terms energy: -112.565517
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -342.898395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.898395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.898395 (E_RNA)
where:
Base-Base interactions energy: -222.859
where: short stacking energy: -119.511
Base-Backbone interact. energy: -0.592
local terms energy: -119.447433
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -34.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -312.299117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.299117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.299117 (E_RNA)
where:
Base-Base interactions energy: -204.598
where: short stacking energy: -105.586
Base-Backbone interact. energy: -0.260
local terms energy: -107.441736
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -23.052
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: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -220.364769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.364769 (E_RNA)
where:
Base-Base interactions energy: -134.458
where: short stacking energy: -79.541
Base-Backbone interact. energy: -0.296
local terms energy: -85.611219
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -240.388003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.388003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.388003 (E_RNA)
where:
Base-Base interactions energy: -144.359
where: short stacking energy: -86.696
Base-Backbone interact. energy: -0.255
local terms energy: -95.774754
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -197.066190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.066190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.066190 (E_RNA)
where:
Base-Base interactions energy: -109.345
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.349
local terms energy: -87.372935
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -184.810471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.810471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.810471 (E_RNA)
where:
Base-Base interactions energy: -118.707
where: short stacking energy: -60.517
Base-Backbone interact. energy: 2.892
local terms energy: -68.995824
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -174.119973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.119973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.119973 (E_RNA)
where:
Base-Base interactions energy: -102.264
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.463
local terms energy: -71.392951
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -386.823664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.823664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.823664 (E_RNA)
where:
Base-Base interactions energy: -259.522
where: short stacking energy: -134.183
Base-Backbone interact. energy: -0.044
local terms energy: -127.257257
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -356.465065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.465065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.465065 (E_RNA)
where:
Base-Base interactions energy: -241.898
where: short stacking energy: -116.702
Base-Backbone interact. energy: -0.639
local terms energy: -113.928278
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -28.152
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: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -349.841910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.841910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.841910 (E_RNA)
where:
Base-Base interactions energy: -236.252
where: short stacking energy: -120.463
Base-Backbone interact. energy: -0.029
local terms energy: -113.560674
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -27.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -329.121116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.121116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.121116 (E_RNA)
where:
Base-Base interactions energy: -215.470
where: short stacking energy: -111.957
Base-Backbone interact. energy: -0.428
local terms energy: -113.222838
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -24.746
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: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -314.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.918538 (E_RNA)
where:
Base-Base interactions energy: -205.849
where: short stacking energy: -103.024
Base-Backbone interact. energy: -1.584
local terms energy: -107.485491
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -28.104
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: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -236.989172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.989172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.989172 (E_RNA)
where:
Base-Base interactions energy: -140.648
where: short stacking energy: -79.000
Base-Backbone interact. energy: -1.358
local terms energy: -94.983562
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -228.818638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.818638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.818638 (E_RNA)
where:
Base-Base interactions energy: -141.220
where: short stacking energy: -78.867
Base-Backbone interact. energy: 0.173
local terms energy: -87.772198
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -19.591
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: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -241.521840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.521840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.521840 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -75.822
Base-Backbone interact. energy: -0.590
local terms energy: -99.161222
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -196.334407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.334407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.334407 (E_RNA)
where:
Base-Base interactions energy: -115.131
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.580
local terms energy: -80.623724
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -128.290855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.290855 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.379
local terms energy: -81.151595
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -4.798
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -385.074712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.074712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.074712 (E_RNA)
where:
Base-Base interactions energy: -255.465
where: short stacking energy: -129.679
Base-Backbone interact. energy: -0.055
local terms energy: -129.554700
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -36.590
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -384.860039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.860039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.860039 (E_RNA)
where:
Base-Base interactions energy: -258.152
where: short stacking energy: -127.913
Base-Backbone interact. energy: -1.741
local terms energy: -124.967056
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -32.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -351.803774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.803774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.803774 (E_RNA)
where:
Base-Base interactions energy: -239.852
where: short stacking energy: -123.454
Base-Backbone interact. energy: -0.001
local terms energy: -111.950654
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -333.241726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.241726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.241726 (E_RNA)
where:
Base-Base interactions energy: -217.368
where: short stacking energy: -120.063
Base-Backbone interact. energy: -0.274
local terms energy: -115.600180
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -32.277
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: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -307.835606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.835606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.835606 (E_RNA)
where:
Base-Base interactions energy: -206.498
where: short stacking energy: -105.584
Base-Backbone interact. energy: 0.018
local terms energy: -101.355975
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -248.904150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.904150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.904150 (E_RNA)
where:
Base-Base interactions energy: -142.562
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.761
local terms energy: -105.581388
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -19.868
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: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -196.115595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.115595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.115595 (E_RNA)
where:
Base-Base interactions energy: -119.981
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.096
local terms energy: -76.038159
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -203.016778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.016778 (E_RNA)
where:
Base-Base interactions energy: -109.201
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.234
local terms energy: -93.582196
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -10.761
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -207.282036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.282036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.282036 (E_RNA)
where:
Base-Base interactions energy: -131.459
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.809
local terms energy: -75.014592
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -125.135225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.135225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.135225 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -44.807
Base-Backbone interact. energy: -0.188
local terms energy: -79.888265
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -0.785
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: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -380.174263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.174263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.174263 (E_RNA)
where:
Base-Base interactions energy: -258.195
where: short stacking energy: -114.660
Base-Backbone interact. energy: -1.486
local terms energy: -120.493419
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -361.197072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.197072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.197072 (E_RNA)
where:
Base-Base interactions energy: -238.463
where: short stacking energy: -120.724
Base-Backbone interact. energy: -0.689
local terms energy: -122.044617
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -32.792
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: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -342.788196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.788196 (E_RNA)
where:
Base-Base interactions energy: -215.300
where: short stacking energy: -112.519
Base-Backbone interact. energy: -0.142
local terms energy: -127.346417
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -31.458
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: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -327.091039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.091039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.091039 (E_RNA)
where:
Base-Base interactions energy: -209.798
where: short stacking energy: -106.551
Base-Backbone interact. energy: -1.060
local terms energy: -116.233275
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -28.346
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -326.043603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.043603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.043603 (E_RNA)
where:
Base-Base interactions energy: -210.365
where: short stacking energy: -112.604
Base-Backbone interact. energy: -0.066
local terms energy: -115.612736
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -265.229884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.229884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.229884 (E_RNA)
where:
Base-Base interactions energy: -166.513
where: short stacking energy: -91.827
Base-Backbone interact. energy: 0.246
local terms energy: -98.963032
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -204.742443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.742443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.742443 (E_RNA)
where:
Base-Base interactions energy: -117.767
where: short stacking energy: -70.511
Base-Backbone interact. energy: -1.101
local terms energy: -85.874577
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -212.415492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.415492 (E_RNA)
where:
Base-Base interactions energy: -133.953
where: short stacking energy: -86.462
Base-Backbone interact. energy: -0.506
local terms energy: -77.956581
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -138.282529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.282529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.282529 (E_RNA)
where:
Base-Base interactions energy: -62.386
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.173
local terms energy: -75.723199
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -187.265134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.265134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.265134 (E_RNA)
where:
Base-Base interactions energy: -113.729
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.122
local terms energy: -73.414493
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -381.562825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.562825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.562825 (E_RNA)
where:
Base-Base interactions energy: -262.212
where: short stacking energy: -131.039
Base-Backbone interact. energy: -1.593
local terms energy: -117.758100
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -360.080276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.080276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.080276 (E_RNA)
where:
Base-Base interactions energy: -242.392
where: short stacking energy: -118.415
Base-Backbone interact. energy: -0.490
local terms energy: -117.198166
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -30.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -351.314720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.314720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.314720 (E_RNA)
where:
Base-Base interactions energy: -236.765
where: short stacking energy: -117.295
Base-Backbone interact. energy: -0.026
local terms energy: -114.524175
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -307.376129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.376129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.376129 (E_RNA)
where:
Base-Base interactions energy: -200.792
where: short stacking energy: -97.532
Base-Backbone interact. energy: -1.563
local terms energy: -105.021464
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -21.439
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: 369
Temperature: 1.100000
Total energy: -297.740143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.740143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.740143 (E_RNA)
where:
Base-Base interactions energy: -196.147
where: short stacking energy: -104.881
Base-Backbone interact. energy: -0.351
local terms energy: -101.241508
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -241.252545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.252545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.252545 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -89.087
Base-Backbone interact. energy: -0.087
local terms energy: -95.059400
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -18.025
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: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -201.844693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.844693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.844693 (E_RNA)
where:
Base-Base interactions energy: -120.104
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.451
local terms energy: -81.288904
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -11.273
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -204.030108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.030108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.030108 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.332
local terms energy: -71.687112
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -6.436
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: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -126.627421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.627421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.627421 (E_RNA)
where:
Base-Base interactions energy: -55.282
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.152
local terms energy: -71.193617
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -9.074
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: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -185.706292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.706292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.706292 (E_RNA)
where:
Base-Base interactions energy: -110.112
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.297
local terms energy: -75.296794
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -384.344867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.344867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.344867 (E_RNA)
where:
Base-Base interactions energy: -268.110
where: short stacking energy: -131.246
Base-Backbone interact. energy: -0.962
local terms energy: -115.272926
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -28.299
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: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -369.771691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.771691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.771691 (E_RNA)
where:
Base-Base interactions energy: -245.732
where: short stacking energy: -121.956
Base-Backbone interact. energy: -0.165
local terms energy: -123.875504
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -31.122
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: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -373.361710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.361710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.361710 (E_RNA)
where:
Base-Base interactions energy: -245.467
where: short stacking energy: -126.867
Base-Backbone interact. energy: -0.014
local terms energy: -127.880082
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -35.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -309.017454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.017454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.017454 (E_RNA)
where:
Base-Base interactions energy: -208.643
where: short stacking energy: -103.580
Base-Backbone interact. energy: -0.045
local terms energy: -100.330300
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -21.663
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: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -322.222093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.222093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.222093 (E_RNA)
where:
Base-Base interactions energy: -211.741
where: short stacking energy: -110.330
Base-Backbone interact. energy: -0.355
local terms energy: -110.125244
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -27.911
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: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -234.008981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.008981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.008981 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -88.711
Base-Backbone interact. energy: -1.386
local terms energy: -84.971914
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -15.063
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: 370
Temperature: 1.200000
Total energy: -213.929754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.929754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.929754 (E_RNA)
where:
Base-Base interactions energy: -132.117
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.182
local terms energy: -81.630727
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -11.218
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: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -214.474581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.474581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.474581 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -87.159
Base-Backbone interact. energy: -0.010
local terms energy: -84.586486
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -16.146
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: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -189.454320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.454320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.454320 (E_RNA)
where:
Base-Base interactions energy: -109.266
where: short stacking energy: -64.108
Base-Backbone interact. energy: 0.165
local terms energy: -80.352562
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -9.461
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: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -127.243711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.243711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.243711 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.108
local terms energy: -83.136647
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -384.302544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.302544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.302544 (E_RNA)
where:
Base-Base interactions energy: -258.412
where: short stacking energy: -132.217
Base-Backbone interact. energy: -1.841
local terms energy: -124.048815
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -33.630
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: 371
Temperature: 0.950000
Total energy: -382.311950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.311950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.311950 (E_RNA)
where:
Base-Base interactions energy: -259.304
where: short stacking energy: -134.692
Base-Backbone interact. energy: 2.683
local terms energy: -125.690122
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -36.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -357.716363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.716363 (E_RNA)
where:
Base-Base interactions energy: -245.319
where: short stacking energy: -119.721
Base-Backbone interact. energy: -0.046
local terms energy: -112.351329
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -31.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -326.916067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.916067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.916067 (E_RNA)
where:
Base-Base interactions energy: -215.499
where: short stacking energy: -111.221
Base-Backbone interact. energy: -1.427
local terms energy: -109.989668
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -23.711
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: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -322.977835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.977835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.977835 (E_RNA)
where:
Base-Base interactions energy: -213.140
where: short stacking energy: -104.795
Base-Backbone interact. energy: -0.061
local terms energy: -109.776649
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -210.983475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.983475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.983475 (E_RNA)
where:
Base-Base interactions energy: -124.063
where: short stacking energy: -82.703
Base-Backbone interact. energy: -0.120
local terms energy: -86.800784
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -238.899436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.899436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.899436 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -87.325
Base-Backbone interact. energy: -0.488
local terms energy: -88.272872
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -207.719527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.719527 (E_RNA)
where:
Base-Base interactions energy: -114.150
where: short stacking energy: -65.340
Base-Backbone interact. energy: 1.018
local terms energy: -94.588032
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -205.459894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.459894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.459894 (E_RNA)
where:
Base-Base interactions energy: -106.768
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.192
local terms energy: -98.500651
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -131.605372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.605372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.605372 (E_RNA)
where:
Base-Base interactions energy: -52.032
where: short stacking energy: -41.936
Base-Backbone interact. energy: 0.174
local terms energy: -79.747428
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -387.944910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.944910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.944910 (E_RNA)
where:
Base-Base interactions energy: -263.655
where: short stacking energy: -135.444
Base-Backbone interact. energy: -0.080
local terms energy: -124.209995
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -33.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -381.222794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.222794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.222794 (E_RNA)
where:
Base-Base interactions energy: -257.557
where: short stacking energy: -129.334
Base-Backbone interact. energy: -1.141
local terms energy: -122.524918
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -375.194152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.194152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.194152 (E_RNA)
where:
Base-Base interactions energy: -249.980
where: short stacking energy: -126.588
Base-Backbone interact. energy: -0.384
local terms energy: -124.829879
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -323.095029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.095029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.095029 (E_RNA)
where:
Base-Base interactions energy: -209.035
where: short stacking energy: -101.781
Base-Backbone interact. energy: -0.376
local terms energy: -113.683982
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -25.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -308.588066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.588066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.588066 (E_RNA)
where:
Base-Base interactions energy: -206.227
where: short stacking energy: -109.435
Base-Backbone interact. energy: -0.137
local terms energy: -102.224715
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -237.819868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.819868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.819868 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -82.404
Base-Backbone interact. energy: -0.181
local terms energy: -99.564523
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -13.042
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -251.489648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.489648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.489648 (E_RNA)
where:
Base-Base interactions energy: -159.972
where: short stacking energy: -81.369
Base-Backbone interact. energy: 0.081
local terms energy: -91.598869
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -19.666
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: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -198.274753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.274753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.274753 (E_RNA)
where:
Base-Base interactions energy: -113.220
where: short stacking energy: -66.549
Base-Backbone interact. energy: 0.612
local terms energy: -85.666506
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -203.143837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.143837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.143837 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.381
local terms energy: -79.265313
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -127.514096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.514096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.514096 (E_RNA)
where:
Base-Base interactions energy: -50.632
where: short stacking energy: -50.632
Base-Backbone interact. energy: -0.250
local terms energy: -76.631570
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -3.408
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: 373
Temperature: 0.900000
Total energy: -393.004378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.004378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.004378 (E_RNA)
where:
Base-Base interactions energy: -260.182
where: short stacking energy: -131.604
Base-Backbone interact. energy: -0.021
local terms energy: -132.801704
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -28.459
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -36.289
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -379.313146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.313146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.313146 (E_RNA)
where:
Base-Base interactions energy: -253.378
where: short stacking energy: -124.612
Base-Backbone interact. energy: -0.699
local terms energy: -125.235529
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -31.735
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: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -352.892347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.892347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.892347 (E_RNA)
where:
Base-Base interactions energy: -233.274
where: short stacking energy: -121.007
Base-Backbone interact. energy: -1.962
local terms energy: -117.656907
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -31.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -326.999272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.999272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.999272 (E_RNA)
where:
Base-Base interactions energy: -209.695
where: short stacking energy: -111.703
Base-Backbone interact. energy: -0.071
local terms energy: -117.232960
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -26.063
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: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -319.084517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.084517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.084517 (E_RNA)
where:
Base-Base interactions energy: -204.974
where: short stacking energy: -109.655
Base-Backbone interact. energy: 0.090
local terms energy: -114.200665
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -19.166
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: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -228.159686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.159686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.159686 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -88.892
Base-Backbone interact. energy: -0.132
local terms energy: -87.055563
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -219.740266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740266 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -84.021
Base-Backbone interact. energy: -0.690
local terms energy: -84.592693
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -19.114
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: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -193.814557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.814557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.814557 (E_RNA)
where:
Base-Base interactions energy: -109.823
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.059
local terms energy: -83.932338
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -188.991614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.991614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.991614 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.586
local terms energy: -89.140993
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -28.030
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -127.160566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.160566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.160566 (E_RNA)
where:
Base-Base interactions energy: -64.083
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.170
local terms energy: -62.907800
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: 0.402
tors. eta vs tors. theta energy: -8.298
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -379.723501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.723501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.723501 (E_RNA)
where:
Base-Base interactions energy: -255.976
where: short stacking energy: -125.074
Base-Backbone interact. energy: -1.899
local terms energy: -121.848469
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -34.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -383.033746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.033746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.033746 (E_RNA)
where:
Base-Base interactions energy: -256.537
where: short stacking energy: -132.109
Base-Backbone interact. energy: 1.918
local terms energy: -128.415555
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -334.826879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.826879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.826879 (E_RNA)
where:
Base-Base interactions energy: -226.753
where: short stacking energy: -125.209
Base-Backbone interact. energy: -0.136
local terms energy: -107.937360
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -340.774534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.774534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.774534 (E_RNA)
where:
Base-Base interactions energy: -230.459
where: short stacking energy: -121.667
Base-Backbone interact. energy: -0.305
local terms energy: -110.010902
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -33.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -307.120960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.120960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.120960 (E_RNA)
where:
Base-Base interactions energy: -198.298
where: short stacking energy: -103.200
Base-Backbone interact. energy: -1.126
local terms energy: -107.697283
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -258.288605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.288605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.288605 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.152
local terms energy: -103.844671
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -21.326
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: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -230.441096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441096 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -79.477
Base-Backbone interact. energy: 2.352
local terms energy: -91.610718
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -179.043626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.043626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.043626 (E_RNA)
where:
Base-Base interactions energy: -104.238
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.288
local terms energy: -74.517586
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -3.756
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: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -135.341785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.341785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.341785 (E_RNA)
where:
Base-Base interactions energy: -47.339
where: short stacking energy: -44.467
Base-Backbone interact. energy: -0.375
local terms energy: -87.627933
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -4.057
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: 374
Temperature: 1.350000
Total energy: -181.210614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210614 (E_RNA)
where:
Base-Base interactions energy: -100.418
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.114
local terms energy: -80.678563
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -3.914
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -375.742908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.742908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.742908 (E_RNA)
where:
Base-Base interactions energy: -254.361
where: short stacking energy: -119.879
Base-Backbone interact. energy: -0.892
local terms energy: -120.490188
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -29.080
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: 375
Temperature: 0.950000
Total energy: -385.375078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.375078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.375078 (E_RNA)
where:
Base-Base interactions energy: -257.469
where: short stacking energy: -141.566
Base-Backbone interact. energy: -0.174
local terms energy: -127.731924
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -38.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -350.444170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.444170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.444170 (E_RNA)
where:
Base-Base interactions energy: -230.258
where: short stacking energy: -115.786
Base-Backbone interact. energy: -1.979
local terms energy: -118.207025
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -317.943781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.943781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.943781 (E_RNA)
where:
Base-Base interactions energy: -206.224
where: short stacking energy: -114.617
Base-Backbone interact. energy: -1.494
local terms energy: -110.225731
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -27.222
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: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -315.831307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.831307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.831307 (E_RNA)
where:
Base-Base interactions energy: -203.453
where: short stacking energy: -104.268
Base-Backbone interact. energy: -0.064
local terms energy: -112.314317
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -26.743
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -25.887
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: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -232.334960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.334960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.334960 (E_RNA)
where:
Base-Base interactions energy: -150.304
where: short stacking energy: -66.953
Base-Backbone interact. energy: -1.458
local terms energy: -80.573486
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -249.154767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.154767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.154767 (E_RNA)
where:
Base-Base interactions energy: -153.140
where: short stacking energy: -90.595
Base-Backbone interact. energy: -0.089
local terms energy: -95.926585
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -196.764371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.764371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.764371 (E_RNA)
where:
Base-Base interactions energy: -108.419
where: short stacking energy: -64.530
Base-Backbone interact. energy: -0.034
local terms energy: -88.311051
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -162.695295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.695295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.695295 (E_RNA)
where:
Base-Base interactions energy: -80.134
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.174
local terms energy: -82.386775
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -10.360
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: 375
Temperature: 1.350000
Total energy: -187.991888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.991888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.991888 (E_RNA)
where:
Base-Base interactions energy: -105.094
where: short stacking energy: -54.271
Base-Backbone interact. energy: 0.536
local terms energy: -83.433212
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -384.924687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.924687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.924687 (E_RNA)
where:
Base-Base interactions energy: -257.077
where: short stacking energy: -133.107
Base-Backbone interact. energy: -1.353
local terms energy: -126.494577
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -34.553
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -363.239234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.239234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.239234 (E_RNA)
where:
Base-Base interactions energy: -245.143
where: short stacking energy: -121.689
Base-Backbone interact. energy: -0.864
local terms energy: -117.232188
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -357.803751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.803751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.803751 (E_RNA)
where:
Base-Base interactions energy: -239.067
where: short stacking energy: -132.025
Base-Backbone interact. energy: -0.207
local terms energy: -118.529475
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -330.531034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.531034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.531034 (E_RNA)
where:
Base-Base interactions energy: -221.197
where: short stacking energy: -112.213
Base-Backbone interact. energy: -0.039
local terms energy: -109.295701
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -24.597
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: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -310.426415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.426415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.426415 (E_RNA)
where:
Base-Base interactions energy: -209.018
where: short stacking energy: -110.434
Base-Backbone interact. energy: -0.514
local terms energy: -100.894090
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -234.038227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.038227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.038227 (E_RNA)
where:
Base-Base interactions energy: -139.582
where: short stacking energy: -82.781
Base-Backbone interact. energy: -0.303
local terms energy: -94.153242
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -238.450625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.450625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.450625 (E_RNA)
where:
Base-Base interactions energy: -145.342
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.873
local terms energy: -92.235840
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -168.246983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.246983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.246983 (E_RNA)
where:
Base-Base interactions energy: -95.933
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.791
local terms energy: -71.523365
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -205.747951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.747951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.747951 (E_RNA)
where:
Base-Base interactions energy: -117.436
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.543
local terms energy: -87.768693
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -133.154322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.154322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.154322 (E_RNA)
where:
Base-Base interactions energy: -64.880
where: short stacking energy: -43.954
Base-Backbone interact. energy: 1.024
local terms energy: -69.297501
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -376.887618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.887618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.887618 (E_RNA)
where:
Base-Base interactions energy: -248.501
where: short stacking energy: -137.310
Base-Backbone interact. energy: -0.145
local terms energy: -128.241699
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -33.089
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -375.416082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.416082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.416082 (E_RNA)
where:
Base-Base interactions energy: -256.451
where: short stacking energy: -127.490
Base-Backbone interact. energy: -0.816
local terms energy: -118.149637
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -33.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -336.730048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.730048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.730048 (E_RNA)
where:
Base-Base interactions energy: -214.559
where: short stacking energy: -116.382
Base-Backbone interact. energy: 0.223
local terms energy: -122.393429
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -28.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -345.963618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.963618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.963618 (E_RNA)
where:
Base-Base interactions energy: -226.670
where: short stacking energy: -130.977
Base-Backbone interact. energy: -0.047
local terms energy: -119.246973
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -308.589664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.589664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.589664 (E_RNA)
where:
Base-Base interactions energy: -211.850
where: short stacking energy: -117.500
Base-Backbone interact. energy: -0.228
local terms energy: -96.511751
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -25.595
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: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -248.445548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.445548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.445548 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.689
local terms energy: -103.300712
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -15.321
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: 377
Temperature: 1.200000
Total energy: -221.899471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.899471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.899471 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -79.399
Base-Backbone interact. energy: 0.161
local terms energy: -85.650651
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -194.225511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.225511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.225511 (E_RNA)
where:
Base-Base interactions energy: -124.830
where: short stacking energy: -63.184
Base-Backbone interact. energy: -0.125
local terms energy: -69.269989
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -177.872204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.872204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.872204 (E_RNA)
where:
Base-Base interactions energy: -94.415
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.133
local terms energy: -83.323293
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -10.112
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: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -144.062888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.062888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.062888 (E_RNA)
where:
Base-Base interactions energy: -81.478
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.734
local terms energy: -61.850449
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -0.644
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -382.172786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.172786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.172786 (E_RNA)
where:
Base-Base interactions energy: -259.586
where: short stacking energy: -127.561
Base-Backbone interact. energy: -0.972
local terms energy: -121.614083
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -32.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -372.515070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.515070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.515070 (E_RNA)
where:
Base-Base interactions energy: -247.303
where: short stacking energy: -135.248
Base-Backbone interact. energy: 0.199
local terms energy: -125.410851
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -35.390
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: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -319.944982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.944982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.944982 (E_RNA)
where:
Base-Base interactions energy: -213.891
where: short stacking energy: -105.969
Base-Backbone interact. energy: -0.195
local terms energy: -105.859614
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -21.870
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: 378
Temperature: 1.050000
Total energy: -319.687100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.687100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.687100 (E_RNA)
where:
Base-Base interactions energy: -207.016
where: short stacking energy: -108.941
Base-Backbone interact. energy: -0.011
local terms energy: -112.660096
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -23.017
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: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -314.149375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.149375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.149375 (E_RNA)
where:
Base-Base interactions energy: -207.439
where: short stacking energy: -110.019
Base-Backbone interact. energy: -0.336
local terms energy: -106.374217
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -237.918262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.918262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.918262 (E_RNA)
where:
Base-Base interactions energy: -156.309
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.550
local terms energy: -81.059611
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -12.431
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: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -234.675498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.675498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.675498 (E_RNA)
where:
Base-Base interactions energy: -149.264
where: short stacking energy: -83.434
Base-Backbone interact. energy: -2.144
local terms energy: -83.267639
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -15.498
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: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -205.757394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.757394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.757394 (E_RNA)
where:
Base-Base interactions energy: -131.268
where: short stacking energy: -75.685
Base-Backbone interact. energy: -0.095
local terms energy: -74.394338
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -193.259721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.259721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.259721 (E_RNA)
where:
Base-Base interactions energy: -108.548
where: short stacking energy: -52.418
Base-Backbone interact. energy: -0.806
local terms energy: -83.905847
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -128.091083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.091083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.091083 (E_RNA)
where:
Base-Base interactions energy: -57.149
where: short stacking energy: -51.366
Base-Backbone interact. energy: 1.554
local terms energy: -72.496752
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -386.341116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.341116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.341116 (E_RNA)
where:
Base-Base interactions energy: -261.498
where: short stacking energy: -136.750
Base-Backbone interact. energy: -2.102
local terms energy: -122.740801
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -27.566
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -30.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -347.505023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.505023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.505023 (E_RNA)
where:
Base-Base interactions energy: -224.256
where: short stacking energy: -126.087
Base-Backbone interact. energy: -0.269
local terms energy: -122.980041
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -323.723210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.723210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.723210 (E_RNA)
where:
Base-Base interactions energy: -210.624
where: short stacking energy: -113.684
Base-Backbone interact. energy: -0.885
local terms energy: -112.214324
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -28.512
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: 379
Temperature: 1.050000
Total energy: -317.693575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.693575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.693575 (E_RNA)
where:
Base-Base interactions energy: -204.512
where: short stacking energy: -106.303
Base-Backbone interact. energy: -0.208
local terms energy: -112.973381
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -319.766180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.766180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.766180 (E_RNA)
where:
Base-Base interactions energy: -213.613
where: short stacking energy: -119.012
Base-Backbone interact. energy: -0.101
local terms energy: -106.051614
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -258.997165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.997165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.997165 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -80.762
Base-Backbone interact. energy: -0.324
local terms energy: -80.859471
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -0.760
tors. eta vs tors. theta energy: -16.629
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: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -219.200182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.200182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.200182 (E_RNA)
where:
Base-Base interactions energy: -146.468
where: short stacking energy: -85.264
Base-Backbone interact. energy: -0.515
local terms energy: -72.217920
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -152.498925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.498925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.498925 (E_RNA)
where:
Base-Base interactions energy: -57.045
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.026
local terms energy: -95.428385
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -15.228
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: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -192.153806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.153806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.153806 (E_RNA)
where:
Base-Base interactions energy: -117.325
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.891
local terms energy: -75.719258
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -124.414537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.414537 (E_RNA)
where:
Base-Base interactions energy: -55.127
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.680
local terms energy: -68.607853
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -11.946
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -379.111900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.111900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.111900 (E_RNA)
where:
Base-Base interactions energy: -254.145
where: short stacking energy: -129.932
Base-Backbone interact. energy: -1.041
local terms energy: -123.925516
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -353.040121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.040121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.040121 (E_RNA)
where:
Base-Base interactions energy: -239.739
where: short stacking energy: -125.291
Base-Backbone interact. energy: -0.002
local terms energy: -113.298321
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -29.820
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: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -330.332901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.332901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.332901 (E_RNA)
where:
Base-Base interactions energy: -214.029
where: short stacking energy: -122.820
Base-Backbone interact. energy: -0.007
local terms energy: -116.297007
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -28.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -324.248102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.248102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.248102 (E_RNA)
where:
Base-Base interactions energy: -208.390
where: short stacking energy: -114.943
Base-Backbone interact. energy: -0.670
local terms energy: -115.188016
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -32.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -322.739689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.739689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.739689 (E_RNA)
where:
Base-Base interactions energy: -210.354
where: short stacking energy: -103.054
Base-Backbone interact. energy: -0.371
local terms energy: -112.013754
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -26.969
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: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -258.656602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.656602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.656602 (E_RNA)
where:
Base-Base interactions energy: -149.566
where: short stacking energy: -85.717
Base-Backbone interact. energy: -0.025
local terms energy: -109.065809
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -215.369095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.369095 (E_RNA)
where:
Base-Base interactions energy: -125.671
where: short stacking energy: -64.518
Base-Backbone interact. energy: 0.801
local terms energy: -90.498519
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -150.079654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.079654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.079654 (E_RNA)
where:
Base-Base interactions energy: -69.863
where: short stacking energy: -58.912
Base-Backbone interact. energy: -0.736
local terms energy: -79.480521
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -9.903
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: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -182.357149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.357149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.357149 (E_RNA)
where:
Base-Base interactions energy: -109.081
where: short stacking energy: -63.008
Base-Backbone interact. energy: 1.711
local terms energy: -74.987057
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -130.455694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.455694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.455694 (E_RNA)
where:
Base-Base interactions energy: -59.117
where: short stacking energy: -54.686
Base-Backbone interact. energy: -0.023
local terms energy: -71.315718
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -389.911898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.911898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.911898 (E_RNA)
where:
Base-Base interactions energy: -264.211
where: short stacking energy: -137.350
Base-Backbone interact. energy: -0.769
local terms energy: -124.932584
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -353.537178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.537178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.537178 (E_RNA)
where:
Base-Base interactions energy: -234.011
where: short stacking energy: -126.519
Base-Backbone interact. energy: -0.635
local terms energy: -118.890995
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -315.006383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.006383 (E_RNA)
where:
Base-Base interactions energy: -207.722
where: short stacking energy: -103.443
Base-Backbone interact. energy: -0.019
local terms energy: -107.265330
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -22.131
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: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -327.416644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.416644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.416644 (E_RNA)
where:
Base-Base interactions energy: -217.919
where: short stacking energy: -105.989
Base-Backbone interact. energy: -0.504
local terms energy: -108.994111
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -25.378
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -307.949468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.949468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.949468 (E_RNA)
where:
Base-Base interactions energy: -197.237
where: short stacking energy: -101.567
Base-Backbone interact. energy: -0.156
local terms energy: -110.556264
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -244.821788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.821788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.821788 (E_RNA)
where:
Base-Base interactions energy: -153.062
where: short stacking energy: -90.944
Base-Backbone interact. energy: -0.726
local terms energy: -91.033271
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -256.483735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.483735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.483735 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -80.205
Base-Backbone interact. energy: -0.050
local terms energy: -99.518018
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -202.769063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769063 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -64.964
Base-Backbone interact. energy: 4.926
local terms energy: -73.428593
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -137.404301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.404301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.404301 (E_RNA)
where:
Base-Base interactions energy: -69.451
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.085
local terms energy: -67.868994
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -117.284590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.284590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.284590 (E_RNA)
where:
Base-Base interactions energy: -40.820
where: short stacking energy: -38.362
Base-Backbone interact. energy: 2.877
local terms energy: -79.341594
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -385.814980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.814980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.814980 (E_RNA)
where:
Base-Base interactions energy: -262.666
where: short stacking energy: -129.255
Base-Backbone interact. energy: -0.660
local terms energy: -122.488540
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -30.745
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: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -347.440651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.440651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.440651 (E_RNA)
where:
Base-Base interactions energy: -222.944
where: short stacking energy: -124.016
Base-Backbone interact. energy: -0.381
local terms energy: -124.115918
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -30.618
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -330.919443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.919443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.919443 (E_RNA)
where:
Base-Base interactions energy: -211.857
where: short stacking energy: -115.204
Base-Backbone interact. energy: -0.109
local terms energy: -118.953590
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -330.183690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.183690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.183690 (E_RNA)
where:
Base-Base interactions energy: -212.209
where: short stacking energy: -117.944
Base-Backbone interact. energy: -0.669
local terms energy: -117.306481
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -28.635
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -325.184936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.184936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.184936 (E_RNA)
where:
Base-Base interactions energy: -219.556
where: short stacking energy: -124.192
Base-Backbone interact. energy: 0.578
local terms energy: -106.207071
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -27.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -251.898876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.898876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.898876 (E_RNA)
where:
Base-Base interactions energy: -159.959
where: short stacking energy: -82.856
Base-Backbone interact. energy: -0.245
local terms energy: -91.695056
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -6.648
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: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -231.309856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.309856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.309856 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.104
local terms energy: -92.699416
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -27.119
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -241.832430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.832430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.832430 (E_RNA)
where:
Base-Base interactions energy: -159.630
where: short stacking energy: -83.523
Base-Backbone interact. energy: -0.265
local terms energy: -81.937353
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -126.953066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.953066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.953066 (E_RNA)
where:
Base-Base interactions energy: -53.206
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.078
local terms energy: -73.668513
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -6.189
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: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -134.466886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.466886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.466886 (E_RNA)
where:
Base-Base interactions energy: -71.442
where: short stacking energy: -46.052
Base-Backbone interact. energy: 1.023
local terms energy: -64.048112
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -0.639
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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -390.680787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.680787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.680787 (E_RNA)
where:
Base-Base interactions energy: -256.845
where: short stacking energy: -135.059
Base-Backbone interact. energy: -0.971
local terms energy: -132.864526
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -36.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -352.874049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.874049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.874049 (E_RNA)
where:
Base-Base interactions energy: -235.452
where: short stacking energy: -130.048
Base-Backbone interact. energy: -0.391
local terms energy: -117.031287
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -33.505
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: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -363.861642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.861642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.861642 (E_RNA)
where:
Base-Base interactions energy: -246.294
where: short stacking energy: -122.357
Base-Backbone interact. energy: -0.093
local terms energy: -117.474930
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -337.644710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.644710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.644710 (E_RNA)
where:
Base-Base interactions energy: -219.548
where: short stacking energy: -103.382
Base-Backbone interact. energy: -0.014
local terms energy: -118.083341
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -26.153
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -28.362
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: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -310.351865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.351865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.351865 (E_RNA)
where:
Base-Base interactions energy: -202.689
where: short stacking energy: -111.111
Base-Backbone interact. energy: 0.268
local terms energy: -107.931515
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -26.495
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: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -267.714170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.714170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.714170 (E_RNA)
where:
Base-Base interactions energy: -166.068
where: short stacking energy: -101.242
Base-Backbone interact. energy: -0.594
local terms energy: -101.051597
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -217.797097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.797097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.797097 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -65.545
Base-Backbone interact. energy: -0.289
local terms energy: -88.412956
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -225.373864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.373864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.373864 (E_RNA)
where:
Base-Base interactions energy: -137.148
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.692
local terms energy: -87.534284
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -145.290511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.290511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.290511 (E_RNA)
where:
Base-Base interactions energy: -64.099
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.196
local terms energy: -80.995643
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -126.266790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.266790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.266790 (E_RNA)
where:
Base-Base interactions energy: -56.672
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.753
local terms energy: -68.841630
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -385.064025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.064025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.064025 (E_RNA)
where:
Base-Base interactions energy: -265.333
where: short stacking energy: -136.509
Base-Backbone interact. energy: -0.987
local terms energy: -118.743797
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -27.930
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: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -347.821988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.821988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.821988 (E_RNA)
where:
Base-Base interactions energy: -231.005
where: short stacking energy: -128.141
Base-Backbone interact. energy: -0.012
local terms energy: -116.805606
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -30.368
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -358.392019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.392019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.392019 (E_RNA)
where:
Base-Base interactions energy: -232.267
where: short stacking energy: -126.836
Base-Backbone interact. energy: -0.016
local terms energy: -126.109220
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -35.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -322.886534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.886534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.886534 (E_RNA)
where:
Base-Base interactions energy: -214.856
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.006
local terms energy: -108.024710
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -313.363924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.363924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.363924 (E_RNA)
where:
Base-Base interactions energy: -211.928
where: short stacking energy: -117.688
Base-Backbone interact. energy: 0.148
local terms energy: -101.583961
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -27.503
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: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -252.540770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540770 (E_RNA)
where:
Base-Base interactions energy: -155.975
where: short stacking energy: -85.695
Base-Backbone interact. energy: -0.397
local terms energy: -96.169016
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -18.076
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -195.249860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.249860 (E_RNA)
where:
Base-Base interactions energy: -107.653
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.010
local terms energy: -87.587461
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -8.991
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: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -204.840985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840985 (E_RNA)
where:
Base-Base interactions energy: -120.024
where: short stacking energy: -59.898
Base-Backbone interact. energy: -1.050
local terms energy: -83.767442
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -130.070085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.070085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.070085 (E_RNA)
where:
Base-Base interactions energy: -55.384
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.212
local terms energy: -74.474030
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: 0.782
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: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -132.952406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.952406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.952406 (E_RNA)
where:
Base-Base interactions energy: -64.020
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.542
local terms energy: -68.390805
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -388.388139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.388139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.388139 (E_RNA)
where:
Base-Base interactions energy: -258.967
where: short stacking energy: -130.438
Base-Backbone interact. energy: -0.699
local terms energy: -128.721969
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -33.603
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: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -370.829883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.829883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.829883 (E_RNA)
where:
Base-Base interactions energy: -245.993
where: short stacking energy: -131.675
Base-Backbone interact. energy: -0.235
local terms energy: -124.602129
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -32.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -342.388107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.388107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.388107 (E_RNA)
where:
Base-Base interactions energy: -220.183
where: short stacking energy: -119.395
Base-Backbone interact. energy: -0.069
local terms energy: -122.135315
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -31.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -317.460167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.460167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.460167 (E_RNA)
where:
Base-Base interactions energy: -207.330
where: short stacking energy: -104.256
Base-Backbone interact. energy: -0.220
local terms energy: -109.911071
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -310.909272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.909272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.909272 (E_RNA)
where:
Base-Base interactions energy: -203.123
where: short stacking energy: -105.447
Base-Backbone interact. energy: -0.487
local terms energy: -107.299544
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -21.670
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: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -207.819401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.819401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819401 (E_RNA)
where:
Base-Base interactions energy: -119.740
where: short stacking energy: -71.731
Base-Backbone interact. energy: 3.680
local terms energy: -91.759200
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -15.313
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: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -225.743048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.743048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.743048 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.281
local terms energy: -88.886084
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -8.658
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: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -226.962653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.962653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.962653 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -86.038
Base-Backbone interact. energy: -1.088
local terms energy: -91.726883
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -13.233
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: 385
Temperature: 1.300000
Total energy: -149.725813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.725813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.725813 (E_RNA)
where:
Base-Base interactions energy: -60.836
where: short stacking energy: -60.836
Base-Backbone interact. energy: 0.668
local terms energy: -89.558212
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -141.453410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.453410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.453410 (E_RNA)
where:
Base-Base interactions energy: -68.633
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.227
local terms energy: -72.594061
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -381.727424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.727424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.727424 (E_RNA)
where:
Base-Base interactions energy: -254.451
where: short stacking energy: -124.745
Base-Backbone interact. energy: -2.691
local terms energy: -124.585499
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -368.011397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.011397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.011397 (E_RNA)
where:
Base-Base interactions energy: -238.598
where: short stacking energy: -124.604
Base-Backbone interact. energy: -0.678
local terms energy: -128.735047
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -36.357
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: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -345.884282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.884282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.884282 (E_RNA)
where:
Base-Base interactions energy: -232.229
where: short stacking energy: -131.709
Base-Backbone interact. energy: -0.007
local terms energy: -113.647995
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -34.638
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: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -296.645049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.645049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.645049 (E_RNA)
where:
Base-Base interactions energy: -193.686
where: short stacking energy: -109.672
Base-Backbone interact. energy: -0.024
local terms energy: -102.934629
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -22.518
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: 386
Temperature: 1.100000
Total energy: -300.970466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.970466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.970466 (E_RNA)
where:
Base-Base interactions energy: -191.673
where: short stacking energy: -102.743
Base-Backbone interact. energy: -0.041
local terms energy: -109.256342
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -23.211
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -218.874261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.874261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.874261 (E_RNA)
where:
Base-Base interactions energy: -137.844
where: short stacking energy: -78.651
Base-Backbone interact. energy: -0.692
local terms energy: -80.338525
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -245.262846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.262846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.262846 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -88.525
Base-Backbone interact. energy: -0.379
local terms energy: -93.428190
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -20.361
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: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -224.543759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.543759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.543759 (E_RNA)
where:
Base-Base interactions energy: -145.601
where: short stacking energy: -72.482
Base-Backbone interact. energy: -1.690
local terms energy: -77.252896
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -121.810720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.810720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.810720 (E_RNA)
where:
Base-Base interactions energy: -52.012
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.273
local terms energy: -69.526366
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -124.348027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.348027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.348027 (E_RNA)
where:
Base-Base interactions energy: -55.551
where: short stacking energy: -53.596
Base-Backbone interact. energy: 1.648
local terms energy: -70.445298
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -3.309
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: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -373.558940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.558940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.558940 (E_RNA)
where:
Base-Base interactions energy: -255.312
where: short stacking energy: -124.446
Base-Backbone interact. energy: -1.705
local terms energy: -116.541824
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -388.442989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.442989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.442989 (E_RNA)
where:
Base-Base interactions energy: -262.646
where: short stacking energy: -140.121
Base-Backbone interact. energy: -0.003
local terms energy: -125.793796
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -35.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -369.441841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.441841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.441841 (E_RNA)
where:
Base-Base interactions energy: -249.094
where: short stacking energy: -131.144
Base-Backbone interact. energy: -0.389
local terms energy: -119.958071
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -32.916
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: 387
Temperature: 1.050000
Total energy: -340.050285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.050285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.050285 (E_RNA)
where:
Base-Base interactions energy: -223.629
where: short stacking energy: -113.493
Base-Backbone interact. energy: -0.049
local terms energy: -116.371824
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -29.481
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: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -295.758257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.758257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.758257 (E_RNA)
where:
Base-Base interactions energy: -193.831
where: short stacking energy: -105.253
Base-Backbone interact. energy: -0.781
local terms energy: -101.147152
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -233.245084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.245084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.245084 (E_RNA)
where:
Base-Base interactions energy: -144.984
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.158
local terms energy: -88.103212
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -212.897920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897920 (E_RNA)
where:
Base-Base interactions energy: -121.997
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.416
local terms energy: -90.485803
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -224.007182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.007182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.007182 (E_RNA)
where:
Base-Base interactions energy: -142.218
where: short stacking energy: -78.519
Base-Backbone interact. energy: -0.627
local terms energy: -81.162964
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -134.990419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.990419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.990419 (E_RNA)
where:
Base-Base interactions energy: -56.828
where: short stacking energy: -56.828
Base-Backbone interact. energy: 0.456
local terms energy: -78.618153
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -127.147942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.147942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.147942 (E_RNA)
where:
Base-Base interactions energy: -61.816
where: short stacking energy: -43.579
Base-Backbone interact. energy: 1.458
local terms energy: -66.789859
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -0.356
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: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -388.824447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.824447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.824447 (E_RNA)
where:
Base-Base interactions energy: -263.236
where: short stacking energy: -132.809
Base-Backbone interact. energy: -0.164
local terms energy: -125.423941
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -35.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -377.590100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.590100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.590100 (E_RNA)
where:
Base-Base interactions energy: -254.291
where: short stacking energy: -131.038
Base-Backbone interact. energy: -0.907
local terms energy: -122.392807
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -30.756
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: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -340.793130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.793130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.793130 (E_RNA)
where:
Base-Base interactions energy: -217.448
where: short stacking energy: -125.973
Base-Backbone interact. energy: -0.106
local terms energy: -123.238593
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -31.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -322.882486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.882486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.882486 (E_RNA)
where:
Base-Base interactions energy: -219.396
where: short stacking energy: -113.767
Base-Backbone interact. energy: -0.144
local terms energy: -103.341937
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -333.941721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.941721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.941721 (E_RNA)
where:
Base-Base interactions energy: -222.326
where: short stacking energy: -127.707
Base-Backbone interact. energy: -2.383
local terms energy: -109.232870
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -29.192
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: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -240.421449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.421449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.421449 (E_RNA)
where:
Base-Base interactions energy: -149.751
where: short stacking energy: -90.579
Base-Backbone interact. energy: -0.022
local terms energy: -90.649097
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -21.365
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -222.333412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.333412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.333412 (E_RNA)
where:
Base-Base interactions energy: -135.657
where: short stacking energy: -71.403
Base-Backbone interact. energy: 0.517
local terms energy: -87.193306
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -221.623859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.623859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623859 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -76.904
Base-Backbone interact. energy: -0.281
local terms energy: -91.210330
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -18.178
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: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -141.489376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.489376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.489376 (E_RNA)
where:
Base-Base interactions energy: -60.402
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.084
local terms energy: -81.003212
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -155.219507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.219507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.219507 (E_RNA)
where:
Base-Base interactions energy: -75.409
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.179
local terms energy: -79.630976
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -374.216394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.216394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.216394 (E_RNA)
where:
Base-Base interactions energy: -248.567
where: short stacking energy: -122.484
Base-Backbone interact. energy: -0.053
local terms energy: -125.596523
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -29.301
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -374.681816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.681816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.681816 (E_RNA)
where:
Base-Base interactions energy: -248.737
where: short stacking energy: -124.871
Base-Backbone interact. energy: -0.924
local terms energy: -125.020418
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -326.036425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.036425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.036425 (E_RNA)
where:
Base-Base interactions energy: -211.963
where: short stacking energy: -115.807
Base-Backbone interact. energy: -0.009
local terms energy: -114.065122
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -29.896
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: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -328.179503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.179503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.179503 (E_RNA)
where:
Base-Base interactions energy: -216.872
where: short stacking energy: -116.231
Base-Backbone interact. energy: -0.506
local terms energy: -110.802107
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -323.056439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.056439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.056439 (E_RNA)
where:
Base-Base interactions energy: -211.396
where: short stacking energy: -113.159
Base-Backbone interact. energy: -0.046
local terms energy: -111.614307
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -247.918482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.918482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.918482 (E_RNA)
where:
Base-Base interactions energy: -149.012
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.727
local terms energy: -98.179474
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -234.959844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.959844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.959844 (E_RNA)
where:
Base-Base interactions energy: -141.582
where: short stacking energy: -83.764
Base-Backbone interact. energy: 0.208
local terms energy: -93.585497
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -231.616979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.616979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616979 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -82.022
Base-Backbone interact. energy: -0.722
local terms energy: -94.130827
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -132.686606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.686606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.686606 (E_RNA)
where:
Base-Base interactions energy: -60.256
where: short stacking energy: -47.872
Base-Backbone interact. energy: 0.828
local terms energy: -73.259106
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -128.116288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.116288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.116288 (E_RNA)
where:
Base-Base interactions energy: -58.296
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.147
local terms energy: -69.673658
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -378.960558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.960558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.960558 (E_RNA)
where:
Base-Base interactions energy: -255.737
where: short stacking energy: -132.910
Base-Backbone interact. energy: -0.421
local terms energy: -122.801992
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -373.891602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.891602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.891602 (E_RNA)
where:
Base-Base interactions energy: -251.780
where: short stacking energy: -126.244
Base-Backbone interact. energy: 0.083
local terms energy: -122.195018
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -30.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -319.994887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.994887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.994887 (E_RNA)
where:
Base-Base interactions energy: -212.392
where: short stacking energy: -110.454
Base-Backbone interact. energy: 0.710
local terms energy: -108.312862
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -334.291117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.291117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.291117 (E_RNA)
where:
Base-Base interactions energy: -226.181
where: short stacking energy: -113.903
Base-Backbone interact. energy: -0.008
local terms energy: -108.102027
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -323.281848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.281848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.281848 (E_RNA)
where:
Base-Base interactions energy: -208.680
where: short stacking energy: -109.428
Base-Backbone interact. energy: -0.124
local terms energy: -114.477930
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -29.699
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -229.320408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.320408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.320408 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -77.096
Base-Backbone interact. energy: -0.462
local terms energy: -92.300630
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -10.780
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: 390
Temperature: 1.200000
Total energy: -206.739167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739167 (E_RNA)
where:
Base-Base interactions energy: -123.283
where: short stacking energy: -74.909
Base-Backbone interact. energy: 0.378
local terms energy: -83.833664
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -228.842205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.842205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.842205 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -83.543
Base-Backbone interact. energy: -0.074
local terms energy: -80.583952
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -12.457
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: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -132.020368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.020368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.020368 (E_RNA)
where:
Base-Base interactions energy: -61.792
where: short stacking energy: -43.550
Base-Backbone interact. energy: -0.505
local terms energy: -69.723759
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -1.918
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: 390
Temperature: 1.350000
Total energy: -117.505957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.505957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.505957 (E_RNA)
where:
Base-Base interactions energy: -55.116
where: short stacking energy: -44.200
Base-Backbone interact. energy: -0.670
local terms energy: -61.720477
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -5.448
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -378.610081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.610081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.610081 (E_RNA)
where:
Base-Base interactions energy: -249.142
where: short stacking energy: -131.363
Base-Backbone interact. energy: -0.082
local terms energy: -129.386354
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -25.204
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -373.733678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.733678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.733678 (E_RNA)
where:
Base-Base interactions energy: -247.069
where: short stacking energy: -129.820
Base-Backbone interact. energy: -0.775
local terms energy: -125.889595
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -33.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -333.888987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.888987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.888987 (E_RNA)
where:
Base-Base interactions energy: -215.617
where: short stacking energy: -108.225
Base-Backbone interact. energy: -0.331
local terms energy: -117.940914
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -27.584
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: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -328.484203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.484203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.484203 (E_RNA)
where:
Base-Base interactions energy: -212.577
where: short stacking energy: -110.489
Base-Backbone interact. energy: -0.629
local terms energy: -115.278150
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -28.500
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: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -307.590006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.590006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.590006 (E_RNA)
where:
Base-Base interactions energy: -193.255
where: short stacking energy: -102.279
Base-Backbone interact. energy: -0.377
local terms energy: -113.958150
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -26.384
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: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -238.437676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.437676 (E_RNA)
where:
Base-Base interactions energy: -150.665
where: short stacking energy: -85.578
Base-Backbone interact. energy: -1.762
local terms energy: -86.010901
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -192.105344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105344 (E_RNA)
where:
Base-Base interactions energy: -111.180
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.361
local terms energy: -80.564640
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -11.495
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: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -210.579636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.579636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.579636 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.192
local terms energy: -82.918825
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -136.935845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.935845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.935845 (E_RNA)
where:
Base-Base interactions energy: -62.959
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.132
local terms energy: -73.845381
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: 0.551
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: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -130.745718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.745718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.745718 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.102
local terms energy: -86.145307
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -394.895726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.895726 (E_RNA)
where:
Base-Base interactions energy: -264.550
where: short stacking energy: -136.252
Base-Backbone interact. energy: -0.282
local terms energy: -130.063870
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -37.338
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -378.474021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.474021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.474021 (E_RNA)
where:
Base-Base interactions energy: -250.744
where: short stacking energy: -124.967
Base-Backbone interact. energy: -1.403
local terms energy: -126.327064
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -32.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -325.196891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.196891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.196891 (E_RNA)
where:
Base-Base interactions energy: -210.269
where: short stacking energy: -106.569
Base-Backbone interact. energy: -0.162
local terms energy: -114.766583
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -329.853357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.853357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.853357 (E_RNA)
where:
Base-Base interactions energy: -210.724
where: short stacking energy: -113.588
Base-Backbone interact. energy: -0.255
local terms energy: -118.874206
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -31.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -254.448585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.448585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.448585 (E_RNA)
where:
Base-Base interactions energy: -161.661
where: short stacking energy: -82.860
Base-Backbone interact. energy: -0.801
local terms energy: -91.986450
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -305.180794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.180794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.180794 (E_RNA)
where:
Base-Base interactions energy: -202.668
where: short stacking energy: -108.975
Base-Backbone interact. energy: -0.401
local terms energy: -102.111482
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -225.698177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.698177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.698177 (E_RNA)
where:
Base-Base interactions energy: -133.219
where: short stacking energy: -70.923
Base-Backbone interact. energy: -0.428
local terms energy: -92.051192
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -204.047690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.047690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.047690 (E_RNA)
where:
Base-Base interactions energy: -128.606
where: short stacking energy: -69.087
Base-Backbone interact. energy: -0.545
local terms energy: -74.896783
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -6.635
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: 392
Temperature: 1.300000
Total energy: -134.748989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.748989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.748989 (E_RNA)
where:
Base-Base interactions energy: -60.819
where: short stacking energy: -54.914
Base-Backbone interact. energy: 0.456
local terms energy: -74.386780
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -144.487548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.487548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.487548 (E_RNA)
where:
Base-Base interactions energy: -66.865
where: short stacking energy: -38.973
Base-Backbone interact. energy: -1.592
local terms energy: -76.029694
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -392.097773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.097773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.097773 (E_RNA)
where:
Base-Base interactions energy: -268.031
where: short stacking energy: -127.249
Base-Backbone interact. energy: -0.049
local terms energy: -124.018409
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -383.530830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.530830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.530830 (E_RNA)
where:
Base-Base interactions energy: -260.442
where: short stacking energy: -131.822
Base-Backbone interact. energy: -1.094
local terms energy: -121.995054
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -337.261045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.261045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.261045 (E_RNA)
where:
Base-Base interactions energy: -220.214
where: short stacking energy: -117.690
Base-Backbone interact. energy: -0.427
local terms energy: -116.620046
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -347.196251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.196251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.196251 (E_RNA)
where:
Base-Base interactions energy: -224.311
where: short stacking energy: -119.325
Base-Backbone interact. energy: 0.379
local terms energy: -123.263897
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -33.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -251.051782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.051782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.051782 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -81.467
Base-Backbone interact. energy: -0.354
local terms energy: -83.757247
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -304.588280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.588280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.588280 (E_RNA)
where:
Base-Base interactions energy: -212.789
where: short stacking energy: -104.930
Base-Backbone interact. energy: 0.626
local terms energy: -92.425887
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -236.927770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.927770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.927770 (E_RNA)
where:
Base-Base interactions energy: -149.446
where: short stacking energy: -82.998
Base-Backbone interact. energy: -0.180
local terms energy: -87.301983
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -180.122616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.122616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.122616 (E_RNA)
where:
Base-Base interactions energy: -103.249
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.370
local terms energy: -76.504354
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -4.577
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: 393
Temperature: 1.300000
Total energy: -127.447706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.447706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.447706 (E_RNA)
where:
Base-Base interactions energy: -60.431
where: short stacking energy: -46.550
Base-Backbone interact. energy: 0.352
local terms energy: -67.368777
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -9.284
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: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -125.963704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.963704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.963704 (E_RNA)
where:
Base-Base interactions energy: -62.860
where: short stacking energy: -41.866
Base-Backbone interact. energy: -0.602
local terms energy: -62.501415
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -374.659367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.659367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.659367 (E_RNA)
where:
Base-Base interactions energy: -256.548
where: short stacking energy: -135.709
Base-Backbone interact. energy: -1.199
local terms energy: -116.912002
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -31.828
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: 394
Temperature: 0.950000
Total energy: -381.177531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.177531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.177531 (E_RNA)
where:
Base-Base interactions energy: -251.908
where: short stacking energy: -133.167
Base-Backbone interact. energy: -0.218
local terms energy: -129.051476
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -25.593
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -34.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -352.853043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.853043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.853043 (E_RNA)
where:
Base-Base interactions energy: -239.908
where: short stacking energy: -126.576
Base-Backbone interact. energy: -0.667
local terms energy: -112.277823
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -332.534001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.534001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.534001 (E_RNA)
where:
Base-Base interactions energy: -220.200
where: short stacking energy: -122.518
Base-Backbone interact. energy: -0.877
local terms energy: -111.456989
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -29.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -306.565111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.565111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.565111 (E_RNA)
where:
Base-Base interactions energy: -195.326
where: short stacking energy: -108.393
Base-Backbone interact. energy: -0.042
local terms energy: -111.196860
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -238.624955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.624955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.624955 (E_RNA)
where:
Base-Base interactions energy: -150.491
where: short stacking energy: -79.720
Base-Backbone interact. energy: -0.405
local terms energy: -87.729764
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -255.904068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.904068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.904068 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -92.532
Base-Backbone interact. energy: -1.202
local terms energy: -95.802558
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -19.134
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -200.430235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.430235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.430235 (E_RNA)
where:
Base-Base interactions energy: -110.090
where: short stacking energy: -68.733
Base-Backbone interact. energy: -1.854
local terms energy: -88.486180
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -13.735
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: 394
Temperature: 1.300000
Total energy: -147.684785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.684785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.684785 (E_RNA)
where:
Base-Base interactions energy: -76.746
where: short stacking energy: -54.739
Base-Backbone interact. energy: 1.247
local terms energy: -72.185794
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -127.334950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.334950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.334950 (E_RNA)
where:
Base-Base interactions energy: -53.864
where: short stacking energy: -46.079
Base-Backbone interact. energy: -1.151
local terms energy: -72.320267
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -383.887608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.887608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.887608 (E_RNA)
where:
Base-Base interactions energy: -256.589
where: short stacking energy: -129.929
Base-Backbone interact. energy: -1.422
local terms energy: -125.876147
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -29.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -381.233771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.233771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.233771 (E_RNA)
where:
Base-Base interactions energy: -252.374
where: short stacking energy: -132.786
Base-Backbone interact. energy: -1.010
local terms energy: -127.850297
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -35.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -380.628812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.628812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.628812 (E_RNA)
where:
Base-Base interactions energy: -261.801
where: short stacking energy: -126.926
Base-Backbone interact. energy: -0.380
local terms energy: -118.447808
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -30.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -338.404274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.404274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.404274 (E_RNA)
where:
Base-Base interactions energy: -220.313
where: short stacking energy: -121.497
Base-Backbone interact. energy: -0.246
local terms energy: -117.845708
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -298.973160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.973160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.973160 (E_RNA)
where:
Base-Base interactions energy: -196.115
where: short stacking energy: -103.058
Base-Backbone interact. energy: -0.657
local terms energy: -102.201165
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -250.137229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.137229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.137229 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.072
local terms energy: -99.057447
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -23.114
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: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -232.966830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.966830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.966830 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -76.265
Base-Backbone interact. energy: -0.856
local terms energy: -90.614056
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -249.614582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.614582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.614582 (E_RNA)
where:
Base-Base interactions energy: -161.449
where: short stacking energy: -80.545
Base-Backbone interact. energy: -0.055
local terms energy: -88.110590
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -14.720
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: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -140.694918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.694918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.694918 (E_RNA)
where:
Base-Base interactions energy: -51.373
where: short stacking energy: -51.373
Base-Backbone interact. energy: 0.976
local terms energy: -90.297790
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -5.139
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -134.722796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.722796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.722796 (E_RNA)
where:
Base-Base interactions energy: -55.569
where: short stacking energy: -51.291
Base-Backbone interact. energy: 0.272
local terms energy: -79.425633
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -5.387
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -383.416100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.416100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.416100 (E_RNA)
where:
Base-Base interactions energy: -248.611
where: short stacking energy: -128.023
Base-Backbone interact. energy: -1.709
local terms energy: -133.096014
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -26.933
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -16.212
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: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -369.177647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.177647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.177647 (E_RNA)
where:
Base-Base interactions energy: -238.364
where: short stacking energy: -123.348
Base-Backbone interact. energy: -0.002
local terms energy: -130.811656
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -35.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -356.422923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.422923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.422923 (E_RNA)
where:
Base-Base interactions energy: -241.736
where: short stacking energy: -112.446
Base-Backbone interact. energy: -0.802
local terms energy: -113.885580
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -29.744
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: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -359.939892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.939892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.939892 (E_RNA)
where:
Base-Base interactions energy: -243.903
where: short stacking energy: -127.669
Base-Backbone interact. energy: -0.319
local terms energy: -115.718839
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -330.918540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.918540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.918540 (E_RNA)
where:
Base-Base interactions energy: -227.273
where: short stacking energy: -118.212
Base-Backbone interact. energy: -1.370
local terms energy: -102.276255
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -26.770
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: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -264.054858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.054858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.054858 (E_RNA)
where:
Base-Base interactions energy: -164.938
where: short stacking energy: -99.826
Base-Backbone interact. energy: 0.063
local terms energy: -99.179931
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -23.830
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -227.663574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.663574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.663574 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -89.192
Base-Backbone interact. energy: -0.067
local terms energy: -84.890284
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -223.384868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.384868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.384868 (E_RNA)
where:
Base-Base interactions energy: -132.294
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.772
local terms energy: -90.319314
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -14.317
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: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -136.727951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.727951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.727951 (E_RNA)
where:
Base-Base interactions energy: -51.665
where: short stacking energy: -43.284
Base-Backbone interact. energy: 1.599
local terms energy: -86.662474
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -4.013
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: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -129.638952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.638952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.638952 (E_RNA)
where:
Base-Base interactions energy: -58.218
where: short stacking energy: -50.275
Base-Backbone interact. energy: -0.513
local terms energy: -70.908270
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -375.950308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.950308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.950308 (E_RNA)
where:
Base-Base interactions energy: -256.444
where: short stacking energy: -126.842
Base-Backbone interact. energy: -1.011
local terms energy: -118.494874
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -30.986
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: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -371.609127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.609127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.609127 (E_RNA)
where:
Base-Base interactions energy: -252.530
where: short stacking energy: -128.360
Base-Backbone interact. energy: -0.254
local terms energy: -118.824853
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -34.332
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -341.585927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.585927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.585927 (E_RNA)
where:
Base-Base interactions energy: -226.611
where: short stacking energy: -118.086
Base-Backbone interact. energy: -0.261
local terms energy: -114.713712
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -28.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -320.263294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.263294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.263294 (E_RNA)
where:
Base-Base interactions energy: -202.627
where: short stacking energy: -94.289
Base-Backbone interact. energy: 0.387
local terms energy: -118.022978
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -26.255
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: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -345.758514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.758514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.758514 (E_RNA)
where:
Base-Base interactions energy: -230.050
where: short stacking energy: -124.754
Base-Backbone interact. energy: -0.725
local terms energy: -114.982553
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -31.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -263.077353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.077353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.077353 (E_RNA)
where:
Base-Base interactions energy: -167.242
where: short stacking energy: -97.843
Base-Backbone interact. energy: 0.816
local terms energy: -96.650888
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -257.048783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.048783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.048783 (E_RNA)
where:
Base-Base interactions energy: -148.075
where: short stacking energy: -85.427
Base-Backbone interact. energy: -0.747
local terms energy: -108.226271
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -229.753523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.753523 (E_RNA)
where:
Base-Base interactions energy: -144.831
where: short stacking energy: -90.092
Base-Backbone interact. energy: 0.144
local terms energy: -85.066525
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -15.020
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: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -135.870113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.870113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.870113 (E_RNA)
where:
Base-Base interactions energy: -68.593
where: short stacking energy: -68.473
Base-Backbone interact. energy: 5.285
local terms energy: -72.562520
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -144.588073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.588073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.588073 (E_RNA)
where:
Base-Base interactions energy: -66.474
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.112
local terms energy: -78.002960
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -14.052
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -389.401358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.401358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.401358 (E_RNA)
where:
Base-Base interactions energy: -260.884
where: short stacking energy: -135.651
Base-Backbone interact. energy: -2.605
local terms energy: -125.912406
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -34.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -359.841343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.841343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.841343 (E_RNA)
where:
Base-Base interactions energy: -242.143
where: short stacking energy: -118.489
Base-Backbone interact. energy: -2.216
local terms energy: -115.481375
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -29.117
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: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -362.560247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.560247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.560247 (E_RNA)
where:
Base-Base interactions energy: -246.740
where: short stacking energy: -131.758
Base-Backbone interact. energy: -0.015
local terms energy: -115.805537
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -31.344
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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -325.698418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.698418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.698418 (E_RNA)
where:
Base-Base interactions energy: -210.898
where: short stacking energy: -110.044
Base-Backbone interact. energy: -0.218
local terms energy: -114.582578
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -338.006025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.006025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.006025 (E_RNA)
where:
Base-Base interactions energy: -219.197
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.058
local terms energy: -118.751401
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -242.951185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.951185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.951185 (E_RNA)
where:
Base-Base interactions energy: -139.425
where: short stacking energy: -86.410
Base-Backbone interact. energy: -1.196
local terms energy: -102.329789
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -225.039497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.039497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.039497 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -75.179
Base-Backbone interact. energy: 0.091
local terms energy: -83.550006
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -200.030088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.030088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.030088 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -71.048
Base-Backbone interact. energy: 0.732
local terms energy: -85.147279
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -12.064
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: 398
Temperature: 1.300000
Total energy: -146.438593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.438593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.438593 (E_RNA)
where:
Base-Base interactions energy: -71.265
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.252
local terms energy: -74.920871
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -115.918243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.918243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.918243 (E_RNA)
where:
Base-Base interactions energy: -49.030
where: short stacking energy: -45.833
Base-Backbone interact. energy: -0.384
local terms energy: -66.503379
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -382.701626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.701626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.701626 (E_RNA)
where:
Base-Base interactions energy: -260.251
where: short stacking energy: -130.944
Base-Backbone interact. energy: -1.227
local terms energy: -121.223224
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -26.746
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -35.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -370.667115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.667115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.667115 (E_RNA)
where:
Base-Base interactions energy: -248.824
where: short stacking energy: -130.242
Base-Backbone interact. energy: -0.280
local terms energy: -121.563216
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -36.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -365.222476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.222476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.222476 (E_RNA)
where:
Base-Base interactions energy: -251.643
where: short stacking energy: -126.591
Base-Backbone interact. energy: -1.649
local terms energy: -111.930549
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -30.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -346.824549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.824549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.824549 (E_RNA)
where:
Base-Base interactions energy: -233.126
where: short stacking energy: -127.161
Base-Backbone interact. energy: -0.106
local terms energy: -113.591971
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -33.196
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: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -325.820724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.820724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.820724 (E_RNA)
where:
Base-Base interactions energy: -214.736
where: short stacking energy: -113.429
Base-Backbone interact. energy: -0.372
local terms energy: -110.712459
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -31.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -249.798220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.798220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.798220 (E_RNA)
where:
Base-Base interactions energy: -148.684
where: short stacking energy: -89.257
Base-Backbone interact. energy: -0.510
local terms energy: -100.605076
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -222.085612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.085612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.085612 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -85.335
Base-Backbone interact. energy: -0.271
local terms energy: -80.956439
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -16.719
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: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -208.638266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.638266 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -75.778
Base-Backbone interact. energy: 0.300
local terms energy: -93.196109
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -150.238197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.238197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.238197 (E_RNA)
where:
Base-Base interactions energy: -72.331
where: short stacking energy: -48.111
Base-Backbone interact. energy: -1.578
local terms energy: -76.328604
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -112.980710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.980710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.980710 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -38.715
Base-Backbone interact. energy: -0.370
local terms energy: -74.595771
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -386.043210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.043210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.043210 (E_RNA)
where:
Base-Base interactions energy: -256.426
where: short stacking energy: -137.542
Base-Backbone interact. energy: -1.027
local terms energy: -128.589467
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -36.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -359.120642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.120642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.120642 (E_RNA)
where:
Base-Base interactions energy: -243.579
where: short stacking energy: -123.160
Base-Backbone interact. energy: -0.178
local terms energy: -115.364015
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -345.437193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.437193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.437193 (E_RNA)
where:
Base-Base interactions energy: -226.302
where: short stacking energy: -115.112
Base-Backbone interact. energy: -0.764
local terms energy: -118.371281
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -31.275
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: 400
Temperature: 1.050000
Total energy: -362.196700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.196700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.196700 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -123.047
Base-Backbone interact. energy: -0.215
local terms energy: -115.190083
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -25.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -266.202756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.202756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.202756 (E_RNA)
where:
Base-Base interactions energy: -169.599
where: short stacking energy: -75.627
Base-Backbone interact. energy: 0.134
local terms energy: -96.737104
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -13.816
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: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -305.954052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.954052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.954052 (E_RNA)
where:
Base-Base interactions energy: -202.239
where: short stacking energy: -102.901
Base-Backbone interact. energy: 0.483
local terms energy: -104.197806
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -221.312806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.312806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.312806 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -73.348
Base-Backbone interact. energy: -0.101
local terms energy: -88.821924
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -203.356812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.356812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.356812 (E_RNA)
where:
Base-Base interactions energy: -113.422
where: short stacking energy: -51.591
Base-Backbone interact. energy: -1.170
local terms energy: -88.764543
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -127.086666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.086666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.086666 (E_RNA)
where:
Base-Base interactions energy: -54.633
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.069
local terms energy: -72.384608
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -132.754633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.754633 (E_RNA)
where:
Base-Base interactions energy: -60.141
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.177
local terms energy: -72.436589
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -1.751
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: 401
Temperature: 0.900000
Total energy: -373.364284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.364284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.364284 (E_RNA)
where:
Base-Base interactions energy: -248.430
where: short stacking energy: -129.554
Base-Backbone interact. energy: -0.002
local terms energy: -124.931692
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -16.136
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: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -367.704544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.704544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.704544 (E_RNA)
where:
Base-Base interactions energy: -249.338
where: short stacking energy: -135.449
Base-Backbone interact. energy: -0.004
local terms energy: -118.362186
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -32.882
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: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -343.905917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.905917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.905917 (E_RNA)
where:
Base-Base interactions energy: -228.490
where: short stacking energy: -116.754
Base-Backbone interact. energy: -0.005
local terms energy: -115.410511
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -26.964
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -360.181834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.181834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.181834 (E_RNA)
where:
Base-Base interactions energy: -247.539
where: short stacking energy: -126.611
Base-Backbone interact. energy: -1.400
local terms energy: -111.242758
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -29.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -276.356429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.356429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.356429 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -85.877
Base-Backbone interact. energy: -0.366
local terms energy: -91.320203
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -15.446
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: 401
Temperature: 1.150000
Total energy: -308.837041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.837041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.837041 (E_RNA)
where:
Base-Base interactions energy: -202.659
where: short stacking energy: -104.435
Base-Backbone interact. energy: -0.240
local terms energy: -105.937791
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -22.065
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: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -237.800201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.800201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.800201 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -96.998
Base-Backbone interact. energy: -0.795
local terms energy: -91.851457
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -223.620008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.620008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.620008 (E_RNA)
where:
Base-Base interactions energy: -129.814
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.925
local terms energy: -92.880732
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -13.283
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -132.086667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.086667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.086667 (E_RNA)
where:
Base-Base interactions energy: -55.401
where: short stacking energy: -54.634
Base-Backbone interact. energy: -0.274
local terms energy: -76.412479
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -3.454
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: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -130.765278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.765278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.765278 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.080
local terms energy: -88.652000
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -376.788979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.788979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.788979 (E_RNA)
where:
Base-Base interactions energy: -256.691
where: short stacking energy: -135.184
Base-Backbone interact. energy: -0.182
local terms energy: -119.915688
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -34.021
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: 402
Temperature: 0.950000
Total energy: -378.130455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.130455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.130455 (E_RNA)
where:
Base-Base interactions energy: -252.962
where: short stacking energy: -138.295
Base-Backbone interact. energy: 3.134
local terms energy: -128.302065
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -28.110
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -35.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -351.930180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.930180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.930180 (E_RNA)
where:
Base-Base interactions energy: -233.983
where: short stacking energy: -110.310
Base-Backbone interact. energy: -0.604
local terms energy: -117.342862
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -339.784029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.784029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.784029 (E_RNA)
where:
Base-Base interactions energy: -229.648
where: short stacking energy: -117.070
Base-Backbone interact. energy: -0.160
local terms energy: -109.975420
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -26.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -337.962406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.962406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.962406 (E_RNA)
where:
Base-Base interactions energy: -225.077
where: short stacking energy: -120.666
Base-Backbone interact. energy: -0.111
local terms energy: -112.775192
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -34.084
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: 402
Temperature: 1.150000
Total energy: -246.205702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.205702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.205702 (E_RNA)
where:
Base-Base interactions energy: -158.181
where: short stacking energy: -87.045
Base-Backbone interact. energy: 0.340
local terms energy: -88.365156
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -210.933047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.933047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.933047 (E_RNA)
where:
Base-Base interactions energy: -122.969
where: short stacking energy: -68.546
Base-Backbone interact. energy: 0.160
local terms energy: -88.123862
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -214.099621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099621 (E_RNA)
where:
Base-Base interactions energy: -134.553
where: short stacking energy: -75.302
Base-Backbone interact. energy: 1.077
local terms energy: -80.623217
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -147.038489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.038489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.038489 (E_RNA)
where:
Base-Base interactions energy: -68.891
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.124
local terms energy: -78.023034
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -5.937
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: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -151.564881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.564881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.564881 (E_RNA)
where:
Base-Base interactions energy: -73.404
where: short stacking energy: -63.008
Base-Backbone interact. energy: -1.445
local terms energy: -76.716024
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -380.092155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.092155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.092155 (E_RNA)
where:
Base-Base interactions energy: -256.519
where: short stacking energy: -136.703
Base-Backbone interact. energy: -0.144
local terms energy: -123.428647
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -33.180
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: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -375.387507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.387507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.387507 (E_RNA)
where:
Base-Base interactions energy: -248.285
where: short stacking energy: -124.394
Base-Backbone interact. energy: -2.710
local terms energy: -124.392162
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -359.878830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.878830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.878830 (E_RNA)
where:
Base-Base interactions energy: -241.684
where: short stacking energy: -124.196
Base-Backbone interact. energy: -0.003
local terms energy: -118.192034
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -30.206
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: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -338.989972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.989972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.989972 (E_RNA)
where:
Base-Base interactions energy: -227.247
where: short stacking energy: -106.036
Base-Backbone interact. energy: -0.398
local terms energy: -111.345515
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -29.310
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -307.214285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.214285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.214285 (E_RNA)
where:
Base-Base interactions energy: -201.079
where: short stacking energy: -104.229
Base-Backbone interact. energy: 0.240
local terms energy: -106.374669
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -247.160624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.160624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.160624 (E_RNA)
where:
Base-Base interactions energy: -146.779
where: short stacking energy: -91.887
Base-Backbone interact. energy: -0.471
local terms energy: -99.910553
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -14.697
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: 403
Temperature: 1.200000
Total energy: -202.003393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.003393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.003393 (E_RNA)
where:
Base-Base interactions energy: -117.697
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.272
local terms energy: -84.034862
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -9.786
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -203.980882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.980882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.980882 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -69.096
Base-Backbone interact. energy: -1.263
local terms energy: -76.883256
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -127.270583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.270583 (E_RNA)
where:
Base-Base interactions energy: -51.963
where: short stacking energy: -44.989
Base-Backbone interact. energy: -1.551
local terms energy: -73.756077
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -120.475644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.475644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.475644 (E_RNA)
where:
Base-Base interactions energy: -50.675
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.501
local terms energy: -69.299536
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -6.071
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -379.831064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.831064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.831064 (E_RNA)
where:
Base-Base interactions energy: -255.850
where: short stacking energy: -127.242
Base-Backbone interact. energy: -3.047
local terms energy: -120.934202
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -33.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -370.005830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.005830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.005830 (E_RNA)
where:
Base-Base interactions energy: -251.068
where: short stacking energy: -130.645
Base-Backbone interact. energy: -0.091
local terms energy: -118.846894
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -366.197845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.197845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.197845 (E_RNA)
where:
Base-Base interactions energy: -260.313
where: short stacking energy: -136.045
Base-Backbone interact. energy: 3.767
local terms energy: -109.651850
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -32.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -313.225495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.225495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.225495 (E_RNA)
where:
Base-Base interactions energy: -214.087
where: short stacking energy: -103.610
Base-Backbone interact. energy: -0.409
local terms energy: -98.730056
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -26.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -322.648973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.648973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.648973 (E_RNA)
where:
Base-Base interactions energy: -217.821
where: short stacking energy: -119.246
Base-Backbone interact. energy: -0.094
local terms energy: -104.733802
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -242.258630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.258630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.258630 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -83.620
Base-Backbone interact. energy: -2.518
local terms energy: -93.539921
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -226.461728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.461728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.461728 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -85.345
Base-Backbone interact. energy: -0.453
local terms energy: -90.933771
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -214.093942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.093942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.093942 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -77.873
Base-Backbone interact. energy: 1.239
local terms energy: -81.155752
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -10.596
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -147.428689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.428689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.428689 (E_RNA)
where:
Base-Base interactions energy: -65.364
where: short stacking energy: -61.290
Base-Backbone interact. energy: 0.109
local terms energy: -82.174346
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -14.142
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -122.834037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.834037 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.202
local terms energy: -74.490557
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -383.266654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.266654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.266654 (E_RNA)
where:
Base-Base interactions energy: -260.714
where: short stacking energy: -132.867
Base-Backbone interact. energy: -2.177
local terms energy: -120.376036
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -31.783
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -374.502957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.502957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.502957 (E_RNA)
where:
Base-Base interactions energy: -250.942
where: short stacking energy: -135.463
Base-Backbone interact. energy: -0.001
local terms energy: -123.559767
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -33.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -348.334885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.334885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.334885 (E_RNA)
where:
Base-Base interactions energy: -226.024
where: short stacking energy: -129.480
Base-Backbone interact. energy: 0.402
local terms energy: -122.712980
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -32.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -322.110335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.110335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.110335 (E_RNA)
where:
Base-Base interactions energy: -215.803
where: short stacking energy: -110.215
Base-Backbone interact. energy: -0.322
local terms energy: -105.985440
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -305.348953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.348953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.348953 (E_RNA)
where:
Base-Base interactions energy: -213.224
where: short stacking energy: -113.527
Base-Backbone interact. energy: -0.005
local terms energy: -92.119570
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -26.449
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: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -236.865342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.865342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.865342 (E_RNA)
where:
Base-Base interactions energy: -128.762
where: short stacking energy: -86.443
Base-Backbone interact. energy: -1.123
local terms energy: -106.980440
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -17.606
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: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -206.098318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.098318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.098318 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.403
local terms energy: -83.345513
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -226.016283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.016283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.016283 (E_RNA)
where:
Base-Base interactions energy: -138.560
where: short stacking energy: -84.099
Base-Backbone interact. energy: -0.246
local terms energy: -87.210477
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -157.410071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.410071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.410071 (E_RNA)
where:
Base-Base interactions energy: -76.607
where: short stacking energy: -60.361
Base-Backbone interact. energy: -1.869
local terms energy: -78.933983
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -2.591
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: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -124.161946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.161946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.161946 (E_RNA)
where:
Base-Base interactions energy: -53.205
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.390
local terms energy: -70.567727
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -2.672
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: 406
Temperature: 0.900000
Total energy: -376.348181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.348181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.348181 (E_RNA)
where:
Base-Base interactions energy: -255.908
where: short stacking energy: -136.836
Base-Backbone interact. energy: -0.044
local terms energy: -120.396222
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -35.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -380.141618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.141618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.141618 (E_RNA)
where:
Base-Base interactions energy: -251.586
where: short stacking energy: -126.387
Base-Backbone interact. energy: -1.572
local terms energy: -126.983410
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -32.714
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: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -352.880712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.880712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.880712 (E_RNA)
where:
Base-Base interactions energy: -225.384
where: short stacking energy: -130.353
Base-Backbone interact. energy: -0.072
local terms energy: -127.424499
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -33.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -341.543950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.543950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.543950 (E_RNA)
where:
Base-Base interactions energy: -224.316
where: short stacking energy: -124.393
Base-Backbone interact. energy: -0.036
local terms energy: -117.191203
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -32.484
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: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -315.453675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.453675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.453675 (E_RNA)
where:
Base-Base interactions energy: -217.834
where: short stacking energy: -112.083
Base-Backbone interact. energy: -1.655
local terms energy: -95.964488
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -27.084
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: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -211.496066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.496066 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.545
local terms energy: -75.269197
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -227.533151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.533151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533151 (E_RNA)
where:
Base-Base interactions energy: -133.181
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.400
local terms energy: -93.952405
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -14.021
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -198.690181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.690181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.690181 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -66.456
Base-Backbone interact. energy: -3.220
local terms energy: -76.707409
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -161.930828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.930828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.930828 (E_RNA)
where:
Base-Base interactions energy: -90.948
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.293
local terms energy: -70.690057
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -141.722416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.722416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.722416 (E_RNA)
where:
Base-Base interactions energy: -81.644
where: short stacking energy: -46.406
Base-Backbone interact. energy: -0.421
local terms energy: -59.657004
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -387.763669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.763669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.763669 (E_RNA)
where:
Base-Base interactions energy: -259.797
where: short stacking energy: -131.475
Base-Backbone interact. energy: -0.556
local terms energy: -127.411278
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -34.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -388.140713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.140713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.140713 (E_RNA)
where:
Base-Base interactions energy: -266.057
where: short stacking energy: -136.603
Base-Backbone interact. energy: -1.268
local terms energy: -120.816270
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -336.970685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.970685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.970685 (E_RNA)
where:
Base-Base interactions energy: -220.726
where: short stacking energy: -125.867
Base-Backbone interact. energy: -0.023
local terms energy: -116.221756
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -31.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -318.746610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.746610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.746610 (E_RNA)
where:
Base-Base interactions energy: -208.332
where: short stacking energy: -113.158
Base-Backbone interact. energy: -0.271
local terms energy: -110.143099
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -28.044
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: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -306.463329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.463329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.463329 (E_RNA)
where:
Base-Base interactions energy: -204.007
where: short stacking energy: -109.809
Base-Backbone interact. energy: 0.169
local terms energy: -102.625035
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -228.068643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.068643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.068643 (E_RNA)
where:
Base-Base interactions energy: -152.120
where: short stacking energy: -103.145
Base-Backbone interact. energy: -0.568
local terms energy: -75.380466
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -226.892510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.892510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.892510 (E_RNA)
where:
Base-Base interactions energy: -141.879
where: short stacking energy: -78.391
Base-Backbone interact. energy: -0.783
local terms energy: -84.230309
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -11.931
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -204.780879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.780879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.780879 (E_RNA)
where:
Base-Base interactions energy: -117.954
where: short stacking energy: -66.377
Base-Backbone interact. energy: 0.002
local terms energy: -86.829237
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -17.628
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: 407
Temperature: 1.300000
Total energy: -132.845982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.845982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.845982 (E_RNA)
where:
Base-Base interactions energy: -52.463
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.391
local terms energy: -79.991876
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -151.932223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.932223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.932223 (E_RNA)
where:
Base-Base interactions energy: -75.006
where: short stacking energy: -40.354
Base-Backbone interact. energy: -1.625
local terms energy: -75.301896
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -389.360994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.360994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.360994 (E_RNA)
where:
Base-Base interactions energy: -256.505
where: short stacking energy: -128.009
Base-Backbone interact. energy: -1.016
local terms energy: -131.840261
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -36.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -376.072464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.072464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.072464 (E_RNA)
where:
Base-Base interactions energy: -258.029
where: short stacking energy: -129.456
Base-Backbone interact. energy: -0.685
local terms energy: -117.357935
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -16.197
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: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -334.655099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.655099 (E_RNA)
where:
Base-Base interactions energy: -219.061
where: short stacking energy: -123.051
Base-Backbone interact. energy: -1.190
local terms energy: -114.403939
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -29.030
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: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -304.420770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.420770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.420770 (E_RNA)
where:
Base-Base interactions energy: -200.067
where: short stacking energy: -99.336
Base-Backbone interact. energy: -0.037
local terms energy: -104.316246
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -17.713
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: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -303.629682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.629682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.629682 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -103.239
Base-Backbone interact. energy: -0.222
local terms energy: -99.628834
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -224.854740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.854740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.854740 (E_RNA)
where:
Base-Base interactions energy: -136.907
where: short stacking energy: -81.970
Base-Backbone interact. energy: -0.287
local terms energy: -87.660252
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -198.045841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.045841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.045841 (E_RNA)
where:
Base-Base interactions energy: -123.332
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.715
local terms energy: -73.999256
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -214.326946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326946 (E_RNA)
where:
Base-Base interactions energy: -121.920
where: short stacking energy: -79.767
Base-Backbone interact. energy: -1.030
local terms energy: -91.376642
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -216.971359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.971359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.971359 (E_RNA)
where:
Base-Base interactions energy: -132.220
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.207
local terms energy: -84.544019
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -135.312505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.312505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.312505 (E_RNA)
where:
Base-Base interactions energy: -64.585
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.100
local terms energy: -70.627417
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -379.476003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.476003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.476003 (E_RNA)
where:
Base-Base interactions energy: -250.639
where: short stacking energy: -121.989
Base-Backbone interact. energy: -2.378
local terms energy: -126.459150
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -28.138
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -347.460235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.460235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.460235 (E_RNA)
where:
Base-Base interactions energy: -225.387
where: short stacking energy: -115.575
Base-Backbone interact. energy: -0.129
local terms energy: -121.945032
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -30.242
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -363.767501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.767501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.767501 (E_RNA)
where:
Base-Base interactions energy: -250.324
where: short stacking energy: -119.022
Base-Backbone interact. energy: -1.122
local terms energy: -112.321056
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -314.190860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.190860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.190860 (E_RNA)
where:
Base-Base interactions energy: -202.020
where: short stacking energy: -110.237
Base-Backbone interact. energy: -0.126
local terms energy: -112.044426
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -26.946
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: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -315.649693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.649693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.649693 (E_RNA)
where:
Base-Base interactions energy: -210.425
where: short stacking energy: -94.989
Base-Backbone interact. energy: -0.146
local terms energy: -105.079328
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -28.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -235.189959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.189959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.189959 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -89.684
Base-Backbone interact. energy: -0.528
local terms energy: -96.316345
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -15.402
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: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -227.645283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.645283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.645283 (E_RNA)
where:
Base-Base interactions energy: -134.817
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.467
local terms energy: -92.361579
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -244.296469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.296469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.296469 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -77.984
Base-Backbone interact. energy: -0.608
local terms energy: -106.364494
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -19.760
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: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -188.962621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.962621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.962621 (E_RNA)
where:
Base-Base interactions energy: -117.087
where: short stacking energy: -57.742
Base-Backbone interact. energy: -0.089
local terms energy: -71.786434
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -124.605406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.605406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.605406 (E_RNA)
where:
Base-Base interactions energy: -42.571
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.437
local terms energy: -81.596539
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -366.118081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.118081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.118081 (E_RNA)
where:
Base-Base interactions energy: -246.095
where: short stacking energy: -128.207
Base-Backbone interact. energy: -0.728
local terms energy: -119.294937
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -358.581515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.581515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.581515 (E_RNA)
where:
Base-Base interactions energy: -235.151
where: short stacking energy: -133.024
Base-Backbone interact. energy: -0.042
local terms energy: -123.388527
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -32.223
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: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -362.025733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.025733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.025733 (E_RNA)
where:
Base-Base interactions energy: -240.800
where: short stacking energy: -115.807
Base-Backbone interact. energy: -0.969
local terms energy: -120.257226
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -321.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.017365 (E_RNA)
where:
Base-Base interactions energy: -211.885
where: short stacking energy: -105.609
Base-Backbone interact. energy: -0.763
local terms energy: -108.368776
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -23.153
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -293.707124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.707124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.707124 (E_RNA)
where:
Base-Base interactions energy: -195.328
where: short stacking energy: -96.469
Base-Backbone interact. energy: -0.523
local terms energy: -97.856003
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -14.014
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: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -221.891062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.891062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.891062 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -80.250
Base-Backbone interact. energy: -0.233
local terms energy: -89.406536
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -10.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -223.436950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.436950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.436950 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -94.882
Base-Backbone interact. energy: -1.384
local terms energy: -77.214986
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -11.728
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -220.940437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.940437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.940437 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.133
local terms energy: -87.894232
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -18.718
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: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -220.697807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.697807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.697807 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -74.430
Base-Backbone interact. energy: 0.693
local terms energy: -80.648630
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -121.916546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.916546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.916546 (E_RNA)
where:
Base-Base interactions energy: -50.868
where: short stacking energy: -45.300
Base-Backbone interact. energy: -0.868
local terms energy: -70.181089
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -385.603789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.603789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.603789 (E_RNA)
where:
Base-Base interactions energy: -261.572
where: short stacking energy: -137.001
Base-Backbone interact. energy: -0.478
local terms energy: -123.553553
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -359.231977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.231977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.231977 (E_RNA)
where:
Base-Base interactions energy: -234.781
where: short stacking energy: -128.132
Base-Backbone interact. energy: 2.136
local terms energy: -126.586374
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -36.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -368.308274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.308274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.308274 (E_RNA)
where:
Base-Base interactions energy: -248.405
where: short stacking energy: -127.541
Base-Backbone interact. energy: -1.945
local terms energy: -117.957784
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -31.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -310.186026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.186026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.186026 (E_RNA)
where:
Base-Base interactions energy: -211.378
where: short stacking energy: -116.082
Base-Backbone interact. energy: -0.153
local terms energy: -98.655607
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -25.597
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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -296.102597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.102597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.102597 (E_RNA)
where:
Base-Base interactions energy: -194.300
where: short stacking energy: -89.939
Base-Backbone interact. energy: -0.200
local terms energy: -101.602393
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -14.540
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: 411
Temperature: 1.150000
Total energy: -223.304476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304476 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -81.283
Base-Backbone interact. energy: -0.172
local terms energy: -96.939251
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -196.278736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.278736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.278736 (E_RNA)
where:
Base-Base interactions energy: -123.501
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.099
local terms energy: -72.678839
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -14.606
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: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -235.918558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.918558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918558 (E_RNA)
where:
Base-Base interactions energy: -142.842
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.253
local terms energy: -92.823391
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -17.309
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -219.032167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.032167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032167 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.323
local terms energy: -83.818959
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -7.050
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: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -123.555429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.555429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.555429 (E_RNA)
where:
Base-Base interactions energy: -53.858
where: short stacking energy: -49.190
Base-Backbone interact. energy: 0.175
local terms energy: -69.872481
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: 3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -393.157842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.157842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.157842 (E_RNA)
where:
Base-Base interactions energy: -265.858
where: short stacking energy: -130.947
Base-Backbone interact. energy: -0.646
local terms energy: -126.654312
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -35.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -366.508623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.508623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.508623 (E_RNA)
where:
Base-Base interactions energy: -232.055
where: short stacking energy: -129.437
Base-Backbone interact. energy: -0.232
local terms energy: -134.221139
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -33.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -374.558063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.558063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.558063 (E_RNA)
where:
Base-Base interactions energy: -255.227
where: short stacking energy: -127.401
Base-Backbone interact. energy: -1.857
local terms energy: -117.474173
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -33.479
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: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -328.764743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.764743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.764743 (E_RNA)
where:
Base-Base interactions energy: -218.161
where: short stacking energy: -118.416
Base-Backbone interact. energy: -0.035
local terms energy: -110.569209
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -26.041
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: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -306.377476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.377476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.377476 (E_RNA)
where:
Base-Base interactions energy: -195.458
where: short stacking energy: -97.362
Base-Backbone interact. energy: -0.864
local terms energy: -110.055093
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -23.988
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: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -210.997488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.997488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.997488 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -79.009
Base-Backbone interact. energy: -1.374
local terms energy: -91.776486
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -16.940
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -224.563788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.563788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.563788 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -83.364
Base-Backbone interact. energy: -0.024
local terms energy: -88.650638
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -13.834
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: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -224.203487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.203487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.203487 (E_RNA)
where:
Base-Base interactions energy: -136.180
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.164
local terms energy: -87.859301
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -204.573324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.573324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.573324 (E_RNA)
where:
Base-Base interactions energy: -121.290
where: short stacking energy: -75.448
Base-Backbone interact. energy: -0.656
local terms energy: -82.626935
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -14.765
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: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -120.286481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.286481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.286481 (E_RNA)
where:
Base-Base interactions energy: -55.284
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.268
local terms energy: -64.735229
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -394.167098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.167098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.167098 (E_RNA)
where:
Base-Base interactions energy: -270.145
where: short stacking energy: -131.551
Base-Backbone interact. energy: -0.671
local terms energy: -123.350390
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -32.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -371.322681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.322681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.322681 (E_RNA)
where:
Base-Base interactions energy: -248.327
where: short stacking energy: -123.979
Base-Backbone interact. energy: -0.974
local terms energy: -122.021693
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -383.690330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.690330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.690330 (E_RNA)
where:
Base-Base interactions energy: -252.751
where: short stacking energy: -132.476
Base-Backbone interact. energy: -0.071
local terms energy: -130.868227
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -36.034
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: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -316.941506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.941506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.941506 (E_RNA)
where:
Base-Base interactions energy: -205.025
where: short stacking energy: -111.987
Base-Backbone interact. energy: -0.001
local terms energy: -111.915579
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -28.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -303.284502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.284502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.284502 (E_RNA)
where:
Base-Base interactions energy: -194.444
where: short stacking energy: -99.671
Base-Backbone interact. energy: -0.016
local terms energy: -108.824624
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -226.192100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.192100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.192100 (E_RNA)
where:
Base-Base interactions energy: -139.999
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.831
local terms energy: -85.361413
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -14.551
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: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -212.021363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.021363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021363 (E_RNA)
where:
Base-Base interactions energy: -124.541
where: short stacking energy: -78.067
Base-Backbone interact. energy: 2.244
local terms energy: -89.724583
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -9.033
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: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -219.305760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.305760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.305760 (E_RNA)
where:
Base-Base interactions energy: -137.449
where: short stacking energy: -74.677
Base-Backbone interact. energy: -0.474
local terms energy: -81.382007
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -14.054
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -217.902466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.902466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.902466 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -80.925
Base-Backbone interact. energy: -0.293
local terms energy: -82.573104
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -151.900494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.900494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.900494 (E_RNA)
where:
Base-Base interactions energy: -84.260
where: short stacking energy: -56.138
Base-Backbone interact. energy: -1.487
local terms energy: -66.153246
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -390.136521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.136521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.136521 (E_RNA)
where:
Base-Base interactions energy: -262.693
where: short stacking energy: -121.354
Base-Backbone interact. energy: -0.671
local terms energy: -126.772159
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -376.283934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.283934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.283934 (E_RNA)
where:
Base-Base interactions energy: -255.316
where: short stacking energy: -127.085
Base-Backbone interact. energy: -0.856
local terms energy: -120.111647
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -30.779
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: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -335.274657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.274657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.274657 (E_RNA)
where:
Base-Base interactions energy: -222.380
where: short stacking energy: -119.675
Base-Backbone interact. energy: -0.054
local terms energy: -112.840844
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -30.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -345.307992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.307992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.307992 (E_RNA)
where:
Base-Base interactions energy: -233.571
where: short stacking energy: -120.878
Base-Backbone interact. energy: -0.262
local terms energy: -111.474727
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -30.774
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: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -305.874656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.874656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.874656 (E_RNA)
where:
Base-Base interactions energy: -207.448
where: short stacking energy: -108.101
Base-Backbone interact. energy: -0.646
local terms energy: -97.780588
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -23.468
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: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -245.933456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.933456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.933456 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -83.872
Base-Backbone interact. energy: -0.609
local terms energy: -103.195699
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -19.962
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: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -203.487554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487554 (E_RNA)
where:
Base-Base interactions energy: -110.388
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.264
local terms energy: -92.835433
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -201.265900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.265900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.265900 (E_RNA)
where:
Base-Base interactions energy: -112.130
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.465
local terms energy: -88.670833
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -10.495
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: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -203.110895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110895 (E_RNA)
where:
Base-Base interactions energy: -117.104
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.172
local terms energy: -85.835134
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -112.039895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.039895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.039895 (E_RNA)
where:
Base-Base interactions energy: -53.408
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.178
local terms energy: -58.454350
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -390.149194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.149194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.149194 (E_RNA)
where:
Base-Base interactions energy: -259.791
where: short stacking energy: -132.187
Base-Backbone interact. energy: -0.857
local terms energy: -129.501477
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -36.705
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: 415
Temperature: 0.950000
Total energy: -374.470894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.470894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.470894 (E_RNA)
where:
Base-Base interactions energy: -253.930
where: short stacking energy: -136.958
Base-Backbone interact. energy: -0.881
local terms energy: -119.660490
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -33.043
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -349.981563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.981563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.981563 (E_RNA)
where:
Base-Base interactions energy: -230.385
where: short stacking energy: -123.690
Base-Backbone interact. energy: -0.777
local terms energy: -118.819513
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -17.330
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: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -320.420803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.420803 (E_RNA)
where:
Base-Base interactions energy: -213.234
where: short stacking energy: -95.279
Base-Backbone interact. energy: -1.374
local terms energy: -105.812876
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -300.873602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.873602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.873602 (E_RNA)
where:
Base-Base interactions energy: -203.266
where: short stacking energy: -107.165
Base-Backbone interact. energy: -0.273
local terms energy: -97.335476
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -22.604
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -244.587364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.587364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.587364 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.328
local terms energy: -101.945958
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -16.595
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -197.619313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.619313 (E_RNA)
where:
Base-Base interactions energy: -102.122
where: short stacking energy: -60.409
Base-Backbone interact. energy: 1.132
local terms energy: -96.629284
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -220.866307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.866307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.866307 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -79.476
Base-Backbone interact. energy: -0.536
local terms energy: -84.079189
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -16.680
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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -224.462308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.462308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.462308 (E_RNA)
where:
Base-Base interactions energy: -138.833
where: short stacking energy: -83.512
Base-Backbone interact. energy: 0.275
local terms energy: -85.903770
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -151.537621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.537621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.537621 (E_RNA)
where:
Base-Base interactions energy: -84.362
where: short stacking energy: -43.843
Base-Backbone interact. energy: -1.252
local terms energy: -65.923791
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.680
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: 416
Temperature: 0.900000
Total energy: -385.745350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.745350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.745350 (E_RNA)
where:
Base-Base interactions energy: -261.538
where: short stacking energy: -129.619
Base-Backbone interact. energy: -0.743
local terms energy: -123.463942
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -369.766764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.766764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.766764 (E_RNA)
where:
Base-Base interactions energy: -241.014
where: short stacking energy: -124.676
Base-Backbone interact. energy: -1.557
local terms energy: -127.195614
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -33.426
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: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -339.827827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.827827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.827827 (E_RNA)
where:
Base-Base interactions energy: -235.107
where: short stacking energy: -118.184
Base-Backbone interact. energy: -0.594
local terms energy: -104.126717
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -334.704904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.704904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.704904 (E_RNA)
where:
Base-Base interactions energy: -222.240
where: short stacking energy: -124.174
Base-Backbone interact. energy: -0.023
local terms energy: -112.441510
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -317.642636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.642636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.642636 (E_RNA)
where:
Base-Base interactions energy: -219.903
where: short stacking energy: -104.571
Base-Backbone interact. energy: -1.075
local terms energy: -96.664594
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -239.095425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.095425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.095425 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -78.883
Base-Backbone interact. energy: -0.201
local terms energy: -100.065388
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -20.052
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: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -239.948082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.948082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.948082 (E_RNA)
where:
Base-Base interactions energy: -147.977
where: short stacking energy: -87.140
Base-Backbone interact. energy: 0.208
local terms energy: -92.179550
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -203.866827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.866827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.866827 (E_RNA)
where:
Base-Base interactions energy: -112.723
where: short stacking energy: -61.075
Base-Backbone interact. energy: -1.028
local terms energy: -90.115525
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -9.080
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: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -173.305258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.305258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.305258 (E_RNA)
where:
Base-Base interactions energy: -87.415
where: short stacking energy: -45.235
Base-Backbone interact. energy: -0.273
local terms energy: -85.617603
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -4.290
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: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -163.367954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.367954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.367954 (E_RNA)
where:
Base-Base interactions energy: -91.013
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.113
local terms energy: -72.241820
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -10.398
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: 417
Temperature: 0.900000
Total energy: -381.520520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.520520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.520520 (E_RNA)
where:
Base-Base interactions energy: -263.307
where: short stacking energy: -127.496
Base-Backbone interact. energy: -0.481
local terms energy: -117.732399
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -32.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -352.908843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.908843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.908843 (E_RNA)
where:
Base-Base interactions energy: -230.862
where: short stacking energy: -125.779
Base-Backbone interact. energy: -0.328
local terms energy: -121.718688
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -30.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -357.972014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.972014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.972014 (E_RNA)
where:
Base-Base interactions energy: -239.910
where: short stacking energy: -125.612
Base-Backbone interact. energy: -1.156
local terms energy: -116.906658
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -31.004
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -347.036874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.036874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.036874 (E_RNA)
where:
Base-Base interactions energy: -245.374
where: short stacking energy: -117.342
Base-Backbone interact. energy: -2.720
local terms energy: -98.943351
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -25.253
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: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -343.346848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.346848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.346848 (E_RNA)
where:
Base-Base interactions energy: -219.915
where: short stacking energy: -118.521
Base-Backbone interact. energy: -0.006
local terms energy: -123.426523
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -31.408
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -259.220198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.220198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.220198 (E_RNA)
where:
Base-Base interactions energy: -158.692
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.681
local terms energy: -99.847532
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -238.523688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.523688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.523688 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.289
local terms energy: -95.787179
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -194.060550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.060550 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -75.120
Base-Backbone interact. energy: 0.661
local terms energy: -85.607574
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -16.123
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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -188.358679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.358679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.358679 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.240
local terms energy: -83.932773
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -157.451502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.451502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.451502 (E_RNA)
where:
Base-Base interactions energy: -81.033
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.036
local terms energy: -76.382392
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -383.369671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.369671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.369671 (E_RNA)
where:
Base-Base interactions energy: -262.662
where: short stacking energy: -136.289
Base-Backbone interact. energy: 0.178
local terms energy: -120.886113
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -33.679
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: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -371.101103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.101103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.101103 (E_RNA)
where:
Base-Base interactions energy: -246.331
where: short stacking energy: -135.239
Base-Backbone interact. energy: -0.131
local terms energy: -124.639365
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -35.386
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: 418
Temperature: 1.000000
Total energy: -369.424850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.424850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.424850 (E_RNA)
where:
Base-Base interactions energy: -242.488
where: short stacking energy: -120.936
Base-Backbone interact. energy: -1.180
local terms energy: -125.756223
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -24.090
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -348.835851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.835851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.835851 (E_RNA)
where:
Base-Base interactions energy: -222.071
where: short stacking energy: -124.961
Base-Backbone interact. energy: -0.038
local terms energy: -126.727388
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -348.202624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.202624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.202624 (E_RNA)
where:
Base-Base interactions energy: -238.113
where: short stacking energy: -131.139
Base-Backbone interact. energy: -0.219
local terms energy: -109.870603
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -255.266904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.266904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.266904 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -81.325
Base-Backbone interact. energy: 0.121
local terms energy: -101.118485
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -21.936
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: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -251.507437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.507437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.507437 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -91.359
Base-Backbone interact. energy: -0.452
local terms energy: -101.563861
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -212.875080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.875080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.875080 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -76.173
Base-Backbone interact. energy: -0.304
local terms energy: -85.634833
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -192.462918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.462918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.462918 (E_RNA)
where:
Base-Base interactions energy: -112.079
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.219
local terms energy: -80.164521
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -153.506211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.506211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.506211 (E_RNA)
where:
Base-Base interactions energy: -70.396
where: short stacking energy: -46.528
Base-Backbone interact. energy: 1.739
local terms energy: -84.849104
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -1.289
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: 419
Temperature: 0.900000
Total energy: -387.781568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.781568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.781568 (E_RNA)
where:
Base-Base interactions energy: -265.545
where: short stacking energy: -134.946
Base-Backbone interact. energy: -0.002
local terms energy: -122.234536
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -33.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -371.207961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.207961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.207961 (E_RNA)
where:
Base-Base interactions energy: -246.388
where: short stacking energy: -123.482
Base-Backbone interact. energy: -1.229
local terms energy: -123.591574
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -343.224775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.224775 (E_RNA)
where:
Base-Base interactions energy: -235.919
where: short stacking energy: -128.179
Base-Backbone interact. energy: -0.746
local terms energy: -106.560241
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -338.212178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.212178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.212178 (E_RNA)
where:
Base-Base interactions energy: -220.539
where: short stacking energy: -121.513
Base-Backbone interact. energy: -0.171
local terms energy: -117.502422
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -30.363
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: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -320.728234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.728234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.728234 (E_RNA)
where:
Base-Base interactions energy: -204.670
where: short stacking energy: -107.744
Base-Backbone interact. energy: -0.960
local terms energy: -115.097742
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -26.044
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: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -249.354199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.354199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.354199 (E_RNA)
where:
Base-Base interactions energy: -155.370
where: short stacking energy: -86.278
Base-Backbone interact. energy: -0.205
local terms energy: -93.778860
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -213.508318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.508318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.508318 (E_RNA)
where:
Base-Base interactions energy: -119.094
where: short stacking energy: -69.175
Base-Backbone interact. energy: 0.383
local terms energy: -94.797107
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -10.678
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -220.604499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.604499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.604499 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.312
local terms energy: -83.483497
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -11.723
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: 419
Temperature: 1.300000
Total energy: -177.355020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.355020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.355020 (E_RNA)
where:
Base-Base interactions energy: -97.940
where: short stacking energy: -69.151
Base-Backbone interact. energy: -0.138
local terms energy: -79.277022
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -149.291721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.291721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.291721 (E_RNA)
where:
Base-Base interactions energy: -79.537
where: short stacking energy: -46.651
Base-Backbone interact. energy: 0.685
local terms energy: -70.439107
where:
bonds (distance) C4'-P energy: -6.402
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -393.948307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.948307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.948307 (E_RNA)
where:
Base-Base interactions energy: -263.918
where: short stacking energy: -131.854
Base-Backbone interact. energy: -0.021
local terms energy: -130.009920
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -34.345
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -370.371949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.371949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.371949 (E_RNA)
where:
Base-Base interactions energy: -261.295
where: short stacking energy: -136.362
Base-Backbone interact. energy: -0.485
local terms energy: -108.591762
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -32.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -328.782570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.782570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.782570 (E_RNA)
where:
Base-Base interactions energy: -213.073
where: short stacking energy: -106.499
Base-Backbone interact. energy: 0.633
local terms energy: -116.343053
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -337.452924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.452924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.452924 (E_RNA)
where:
Base-Base interactions energy: -226.028
where: short stacking energy: -113.479
Base-Backbone interact. energy: -0.025
local terms energy: -111.399578
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -26.153
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -306.415191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.415191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.415191 (E_RNA)
where:
Base-Base interactions energy: -205.114
where: short stacking energy: -100.926
Base-Backbone interact. energy: -0.334
local terms energy: -100.967172
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -233.670477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.670477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.670477 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -83.015
Base-Backbone interact. energy: -1.533
local terms energy: -79.400925
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -17.730
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: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -227.861413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.861413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.861413 (E_RNA)
where:
Base-Base interactions energy: -137.686
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.306
local terms energy: -89.869500
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -11.018
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: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -219.889442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.889442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.889442 (E_RNA)
where:
Base-Base interactions energy: -132.998
where: short stacking energy: -67.441
Base-Backbone interact. energy: -0.834
local terms energy: -86.057411
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -159.072615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.072615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.072615 (E_RNA)
where:
Base-Base interactions energy: -86.451
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.393
local terms energy: -72.228434
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -10.268
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: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -139.722361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.722361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.722361 (E_RNA)
where:
Base-Base interactions energy: -64.372
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.210
local terms energy: -75.140348
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -387.364785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.364785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.364785 (E_RNA)
where:
Base-Base interactions energy: -256.577
where: short stacking energy: -132.842
Base-Backbone interact. energy: -0.622
local terms energy: -130.165540
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -32.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -378.728680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.728680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.728680 (E_RNA)
where:
Base-Base interactions energy: -262.124
where: short stacking energy: -126.170
Base-Backbone interact. energy: -1.240
local terms energy: -115.364461
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -349.118528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.118528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.118528 (E_RNA)
where:
Base-Base interactions energy: -234.601
where: short stacking energy: -126.702
Base-Backbone interact. energy: -0.095
local terms energy: -114.422877
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -339.427667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.427667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.427667 (E_RNA)
where:
Base-Base interactions energy: -218.229
where: short stacking energy: -109.750
Base-Backbone interact. energy: -0.183
local terms energy: -121.015740
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -27.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -289.000295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.000295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.000295 (E_RNA)
where:
Base-Base interactions energy: -195.260
where: short stacking energy: -88.680
Base-Backbone interact. energy: -0.969
local terms energy: -92.770988
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -17.775
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -241.705584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.705584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.705584 (E_RNA)
where:
Base-Base interactions energy: -146.332
where: short stacking energy: -85.012
Base-Backbone interact. energy: -1.309
local terms energy: -94.065026
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -13.287
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -233.362484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.362484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.362484 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -86.572
Base-Backbone interact. energy: -0.229
local terms energy: -90.379449
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -15.674
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: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -172.195789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.195789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.195789 (E_RNA)
where:
Base-Base interactions energy: -98.088
where: short stacking energy: -58.196
Base-Backbone interact. energy: 0.138
local terms energy: -74.245039
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -208.993158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.993158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.993158 (E_RNA)
where:
Base-Base interactions energy: -127.254
where: short stacking energy: -73.490
Base-Backbone interact. energy: -0.919
local terms energy: -80.819786
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -13.998
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: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -143.078641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.078641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.078641 (E_RNA)
where:
Base-Base interactions energy: -76.749
where: short stacking energy: -44.939
Base-Backbone interact. energy: -0.072
local terms energy: -66.257634
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -377.347908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.347908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.347908 (E_RNA)
where:
Base-Base interactions energy: -261.029
where: short stacking energy: -132.547
Base-Backbone interact. energy: -0.154
local terms energy: -116.164917
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -37.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -393.497420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.497420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.497420 (E_RNA)
where:
Base-Base interactions energy: -275.402
where: short stacking energy: -133.224
Base-Backbone interact. energy: 1.508
local terms energy: -119.603929
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -32.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -347.391003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.391003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.391003 (E_RNA)
where:
Base-Base interactions energy: -228.729
where: short stacking energy: -131.271
Base-Backbone interact. energy: -0.088
local terms energy: -118.573789
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -33.582
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -330.943773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.943773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.943773 (E_RNA)
where:
Base-Base interactions energy: -215.433
where: short stacking energy: -113.098
Base-Backbone interact. energy: -0.242
local terms energy: -115.268278
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -313.997640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.997640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.997640 (E_RNA)
where:
Base-Base interactions energy: -205.827
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.021
local terms energy: -108.149570
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -235.648621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.648621 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.236
local terms energy: -97.056594
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -240.975352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.975352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.975352 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -88.660
Base-Backbone interact. energy: -0.149
local terms energy: -90.671963
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -150.422701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.422701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.422701 (E_RNA)
where:
Base-Base interactions energy: -75.797
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.255
local terms energy: -74.370165
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -222.844592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.844592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.844592 (E_RNA)
where:
Base-Base interactions energy: -130.908
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.260
local terms energy: -91.675873
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -13.910
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -128.712414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.712414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.712414 (E_RNA)
where:
Base-Base interactions energy: -54.396
where: short stacking energy: -53.012
Base-Backbone interact. energy: -0.153
local terms energy: -74.163511
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -370.850734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.850734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.850734 (E_RNA)
where:
Base-Base interactions energy: -242.770
where: short stacking energy: -129.831
Base-Backbone interact. energy: 0.149
local terms energy: -128.229150
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -38.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -354.497756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.497756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.497756 (E_RNA)
where:
Base-Base interactions energy: -231.774
where: short stacking energy: -119.428
Base-Backbone interact. energy: -0.091
local terms energy: -122.632842
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -397.498488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.498488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.498488 (E_RNA)
where:
Base-Base interactions energy: -274.185
where: short stacking energy: -123.133
Base-Backbone interact. energy: -2.036
local terms energy: -121.277494
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -336.830717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.830717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.830717 (E_RNA)
where:
Base-Base interactions energy: -218.970
where: short stacking energy: -121.066
Base-Backbone interact. energy: -0.002
local terms energy: -117.859104
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -30.752
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: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -314.690661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.690661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.690661 (E_RNA)
where:
Base-Base interactions energy: -213.013
where: short stacking energy: -115.645
Base-Backbone interact. energy: -0.013
local terms energy: -101.665316
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -246.904824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.904824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.904824 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -81.092
Base-Backbone interact. energy: -0.711
local terms energy: -93.848544
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -207.934410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.934410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.934410 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -72.497
Base-Backbone interact. energy: -0.089
local terms energy: -78.420481
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -8.422
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: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -202.046708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.046708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.046708 (E_RNA)
where:
Base-Base interactions energy: -109.482
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.506
local terms energy: -92.058296
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -159.270307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.270307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.270307 (E_RNA)
where:
Base-Base interactions energy: -85.610
where: short stacking energy: -55.362
Base-Backbone interact. energy: 0.008
local terms energy: -73.668510
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -5.470
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -122.023478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.023478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.023478 (E_RNA)
where:
Base-Base interactions energy: -70.133
where: short stacking energy: -39.471
Base-Backbone interact. energy: -1.829
local terms energy: -50.062134
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: 7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -352.861435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.861435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.861435 (E_RNA)
where:
Base-Base interactions energy: -235.325
where: short stacking energy: -123.922
Base-Backbone interact. energy: -0.067
local terms energy: -117.468695
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -30.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -345.948445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.948445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.948445 (E_RNA)
where:
Base-Base interactions energy: -222.123
where: short stacking energy: -113.681
Base-Backbone interact. energy: 0.128
local terms energy: -123.953386
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -25.906
flat angles P-C4'-P energy: -20.080
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -336.036789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.036789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.036789 (E_RNA)
where:
Base-Base interactions energy: -227.991
where: short stacking energy: -119.067
Base-Backbone interact. energy: -0.045
local terms energy: -108.000905
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -374.478216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.478216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.478216 (E_RNA)
where:
Base-Base interactions energy: -261.165
where: short stacking energy: -118.870
Base-Backbone interact. energy: -1.014
local terms energy: -112.298609
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -309.525488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.525488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.525488 (E_RNA)
where:
Base-Base interactions energy: -203.479
where: short stacking energy: -111.000
Base-Backbone interact. energy: -0.028
local terms energy: -106.018180
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -16.576
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: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -248.030256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030256 (E_RNA)
where:
Base-Base interactions energy: -160.508
where: short stacking energy: -80.005
Base-Backbone interact. energy: 0.742
local terms energy: -88.264563
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -244.408271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.408271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.408271 (E_RNA)
where:
Base-Base interactions energy: -156.564
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.062
local terms energy: -87.781929
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -200.972197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.972197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.972197 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -75.646
Base-Backbone interact. energy: -0.263
local terms energy: -83.363982
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -171.382698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.382698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.382698 (E_RNA)
where:
Base-Base interactions energy: -90.766
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.793
local terms energy: -79.823221
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: 0.531
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: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -121.004378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.004378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.004378 (E_RNA)
where:
Base-Base interactions energy: -56.878
where: short stacking energy: -45.359
Base-Backbone interact. energy: 0.717
local terms energy: -64.843349
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 1.201
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -345.481073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.481073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.481073 (E_RNA)
where:
Base-Base interactions energy: -228.283
where: short stacking energy: -116.900
Base-Backbone interact. energy: -0.816
local terms energy: -116.381916
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -353.413470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.413470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.413470 (E_RNA)
where:
Base-Base interactions energy: -234.342
where: short stacking energy: -127.422
Base-Backbone interact. energy: -1.001
local terms energy: -118.070972
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -33.499
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: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -358.850638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.850638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.850638 (E_RNA)
where:
Base-Base interactions energy: -240.437
where: short stacking energy: -121.185
Base-Backbone interact. energy: -0.559
local terms energy: -117.854516
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -31.126
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: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -363.509908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.509908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.509908 (E_RNA)
where:
Base-Base interactions energy: -253.986
where: short stacking energy: -108.856
Base-Backbone interact. energy: -1.346
local terms energy: -108.177874
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -305.086479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.086479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.086479 (E_RNA)
where:
Base-Base interactions energy: -200.142
where: short stacking energy: -110.317
Base-Backbone interact. energy: -0.914
local terms energy: -104.030947
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -23.986
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: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -250.720923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.720923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.720923 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.405
local terms energy: -100.950795
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -18.402
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: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -226.594894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594894 (E_RNA)
where:
Base-Base interactions energy: -139.382
where: short stacking energy: -82.231
Base-Backbone interact. energy: -0.011
local terms energy: -87.201555
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -17.454
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -192.614621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.614621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.614621 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.336
local terms energy: -74.887610
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -6.461
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: 425
Temperature: 1.300000
Total energy: -128.190713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.190713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.190713 (E_RNA)
where:
Base-Base interactions energy: -52.355
where: short stacking energy: -27.439
Base-Backbone interact. energy: 0.569
local terms energy: -76.403848
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -126.817373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.817373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.817373 (E_RNA)
where:
Base-Base interactions energy: -57.974
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.344
local terms energy: -68.498680
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: 1.958
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -348.659971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.659971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.659971 (E_RNA)
where:
Base-Base interactions energy: -224.558
where: short stacking energy: -124.103
Base-Backbone interact. energy: -0.349
local terms energy: -123.752499
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -347.332989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.332989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.332989 (E_RNA)
where:
Base-Base interactions energy: -229.080
where: short stacking energy: -121.875
Base-Backbone interact. energy: -0.375
local terms energy: -117.877790
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -383.377576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.377576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.377576 (E_RNA)
where:
Base-Base interactions energy: -257.080
where: short stacking energy: -111.155
Base-Backbone interact. energy: -0.597
local terms energy: -125.700358
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -353.653615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.653615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.653615 (E_RNA)
where:
Base-Base interactions energy: -246.022
where: short stacking energy: -128.420
Base-Backbone interact. energy: -0.162
local terms energy: -107.469563
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -28.633
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: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -252.614054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.614054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.614054 (E_RNA)
where:
Base-Base interactions energy: -150.330
where: short stacking energy: -88.288
Base-Backbone interact. energy: 0.528
local terms energy: -102.812079
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -315.299561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.299561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.299561 (E_RNA)
where:
Base-Base interactions energy: -211.096
where: short stacking energy: -107.425
Base-Backbone interact. energy: 2.133
local terms energy: -106.337341
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -27.810
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -234.089441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.089441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.089441 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -78.847
Base-Backbone interact. energy: -2.028
local terms energy: -95.808567
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -192.002954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.002954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.002954 (E_RNA)
where:
Base-Base interactions energy: -116.319
where: short stacking energy: -73.092
Base-Backbone interact. energy: -0.525
local terms energy: -75.158625
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -124.687429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.687429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.687429 (E_RNA)
where:
Base-Base interactions energy: -54.036
where: short stacking energy: -43.004
Base-Backbone interact. energy: -0.282
local terms energy: -70.369828
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -110.325062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.325062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.325062 (E_RNA)
where:
Base-Base interactions energy: -42.681
where: short stacking energy: -42.681
Base-Backbone interact. energy: 0.688
local terms energy: -68.332290
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -360.248219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.248219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.248219 (E_RNA)
where:
Base-Base interactions energy: -236.394
where: short stacking energy: -130.809
Base-Backbone interact. energy: -0.283
local terms energy: -123.570836
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -32.143
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: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -400.165539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.165539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.165539 (E_RNA)
where:
Base-Base interactions energy: -289.095
where: short stacking energy: -127.231
Base-Backbone interact. energy: -1.875
local terms energy: -109.196057
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -27.834
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: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -330.348997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.348997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.348997 (E_RNA)
where:
Base-Base interactions energy: -214.006
where: short stacking energy: -113.334
Base-Backbone interact. energy: -0.580
local terms energy: -115.762395
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -333.750722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.750722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.750722 (E_RNA)
where:
Base-Base interactions energy: -223.171
where: short stacking energy: -115.079
Base-Backbone interact. energy: -0.164
local terms energy: -110.414824
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -263.509855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.509855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.509855 (E_RNA)
where:
Base-Base interactions energy: -163.712
where: short stacking energy: -93.987
Base-Backbone interact. energy: -0.135
local terms energy: -99.662355
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -23.862
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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -322.911910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.911910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.911910 (E_RNA)
where:
Base-Base interactions energy: -209.582
where: short stacking energy: -108.460
Base-Backbone interact. energy: 0.944
local terms energy: -114.274676
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -225.708630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.708630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.708630 (E_RNA)
where:
Base-Base interactions energy: -138.496
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.428
local terms energy: -86.784705
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -193.136455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.136455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.136455 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -63.378
Base-Backbone interact. energy: 2.674
local terms energy: -83.058884
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -129.968419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.968419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.968419 (E_RNA)
where:
Base-Base interactions energy: -65.072
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.105
local terms energy: -64.791541
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -138.947819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.947819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.947819 (E_RNA)
where:
Base-Base interactions energy: -65.378
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.898
local terms energy: -72.671963
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -403.698428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.698428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.698428 (E_RNA)
where:
Base-Base interactions energy: -281.092
where: short stacking energy: -127.400
Base-Backbone interact. energy: -2.079
local terms energy: -120.527668
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -29.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -343.694862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.694862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.694862 (E_RNA)
where:
Base-Base interactions energy: -226.638
where: short stacking energy: -119.579
Base-Backbone interact. energy: -0.322
local terms energy: -116.734053
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -27.965
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: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -366.381673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.381673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.381673 (E_RNA)
where:
Base-Base interactions energy: -251.279
where: short stacking energy: -138.800
Base-Backbone interact. energy: -0.766
local terms energy: -114.336969
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -326.744481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.744481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.744481 (E_RNA)
where:
Base-Base interactions energy: -209.018
where: short stacking energy: -106.659
Base-Backbone interact. energy: -0.001
local terms energy: -117.725787
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -31.544
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: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -320.763712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.763712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.763712 (E_RNA)
where:
Base-Base interactions energy: -225.403
where: short stacking energy: -112.760
Base-Backbone interact. energy: -0.765
local terms energy: -94.596406
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -266.335817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.335817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.335817 (E_RNA)
where:
Base-Base interactions energy: -166.098
where: short stacking energy: -99.001
Base-Backbone interact. energy: 0.840
local terms energy: -101.078606
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -24.579
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: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -208.722488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.722488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.722488 (E_RNA)
where:
Base-Base interactions energy: -121.292
where: short stacking energy: -74.005
Base-Backbone interact. energy: -0.453
local terms energy: -86.977060
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -213.990584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.990584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.990584 (E_RNA)
where:
Base-Base interactions energy: -123.203
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.336
local terms energy: -90.451506
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -141.615524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.615524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.615524 (E_RNA)
where:
Base-Base interactions energy: -62.050
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.645
local terms energy: -78.920776
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -122.218774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.218774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.218774 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -48.866
Base-Backbone interact. energy: -0.078
local terms energy: -72.402531
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -1.342
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -405.239019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.239019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.239019 (E_RNA)
where:
Base-Base interactions energy: -278.817
where: short stacking energy: -127.194
Base-Backbone interact. energy: -2.229
local terms energy: -124.193537
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -32.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -357.111469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.111469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.111469 (E_RNA)
where:
Base-Base interactions energy: -238.819
where: short stacking energy: -133.337
Base-Backbone interact. energy: -0.014
local terms energy: -118.278480
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -31.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -346.737325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.737325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.737325 (E_RNA)
where:
Base-Base interactions energy: -226.608
where: short stacking energy: -125.952
Base-Backbone interact. energy: -0.430
local terms energy: -119.699593
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -30.245
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: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -319.125660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.125660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.125660 (E_RNA)
where:
Base-Base interactions energy: -212.554
where: short stacking energy: -114.532
Base-Backbone interact. energy: -0.007
local terms energy: -106.564677
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -31.276
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: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -314.463145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.463145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.463145 (E_RNA)
where:
Base-Base interactions energy: -200.357
where: short stacking energy: -112.625
Base-Backbone interact. energy: -0.055
local terms energy: -114.051415
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -28.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -217.801192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.801192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.801192 (E_RNA)
where:
Base-Base interactions energy: -126.841
where: short stacking energy: -75.765
Base-Backbone interact. energy: -0.477
local terms energy: -90.483215
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -11.005
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: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -246.110871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.110871 (E_RNA)
where:
Base-Base interactions energy: -160.859
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.376
local terms energy: -84.875737
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -210.876375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.876375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.876375 (E_RNA)
where:
Base-Base interactions energy: -122.886
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.055
local terms energy: -87.935070
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -137.162234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.162234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.162234 (E_RNA)
where:
Base-Base interactions energy: -57.119
where: short stacking energy: -46.557
Base-Backbone interact. energy: 0.664
local terms energy: -80.706542
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -18.553
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: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -123.523949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.523949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.523949 (E_RNA)
where:
Base-Base interactions energy: -54.949
where: short stacking energy: -54.316
Base-Backbone interact. energy: -0.250
local terms energy: -68.324890
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -403.260009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.260009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.260009 (E_RNA)
where:
Base-Base interactions energy: -276.461
where: short stacking energy: -130.087
Base-Backbone interact. energy: -0.570
local terms energy: -126.229698
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -32.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -356.779449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.779449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.779449 (E_RNA)
where:
Base-Base interactions energy: -232.019
where: short stacking energy: -128.551
Base-Backbone interact. energy: -1.385
local terms energy: -123.374808
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -35.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -341.561320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.561320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.561320 (E_RNA)
where:
Base-Base interactions energy: -222.529
where: short stacking energy: -113.937
Base-Backbone interact. energy: -0.337
local terms energy: -118.694617
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -341.756486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.756486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.756486 (E_RNA)
where:
Base-Base interactions energy: -222.354
where: short stacking energy: -119.016
Base-Backbone interact. energy: -0.000
local terms energy: -119.402405
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -331.547849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.547849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.547849 (E_RNA)
where:
Base-Base interactions energy: -222.159
where: short stacking energy: -125.189
Base-Backbone interact. energy: -0.007
local terms energy: -109.381847
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -235.106028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.106028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.106028 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -85.095
Base-Backbone interact. energy: -1.235
local terms energy: -92.009329
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -212.805733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.805733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.805733 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -69.467
Base-Backbone interact. energy: -1.709
local terms energy: -84.243094
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -9.399
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: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -196.361180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.361180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.361180 (E_RNA)
where:
Base-Base interactions energy: -118.638
where: short stacking energy: -61.069
Base-Backbone interact. energy: 0.547
local terms energy: -78.270087
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -10.000
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: 430
Temperature: 1.300000
Total energy: -121.949265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.949265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.949265 (E_RNA)
where:
Base-Base interactions energy: -59.619
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.320
local terms energy: -62.010017
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: 0.521
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -132.637587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.637587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.637587 (E_RNA)
where:
Base-Base interactions energy: -63.128
where: short stacking energy: -62.292
Base-Backbone interact. energy: 0.014
local terms energy: -69.522852
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -414.287833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.287833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.287833 (E_RNA)
where:
Base-Base interactions energy: -286.615
where: short stacking energy: -138.582
Base-Backbone interact. energy: -0.236
local terms energy: -127.436447
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -34.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -355.752074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.752074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.752074 (E_RNA)
where:
Base-Base interactions energy: -237.219
where: short stacking energy: -128.625
Base-Backbone interact. energy: -0.014
local terms energy: -118.519009
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -32.911
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: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -348.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.571969 (E_RNA)
where:
Base-Base interactions energy: -234.377
where: short stacking energy: -122.457
Base-Backbone interact. energy: -0.478
local terms energy: -113.716277
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -31.102
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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -336.680481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.680481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.680481 (E_RNA)
where:
Base-Base interactions energy: -218.583
where: short stacking energy: -118.489
Base-Backbone interact. energy: -0.131
local terms energy: -117.966453
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -29.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -305.949718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.949718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.949718 (E_RNA)
where:
Base-Base interactions energy: -203.862
where: short stacking energy: -98.569
Base-Backbone interact. energy: -0.611
local terms energy: -101.476912
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -239.128816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.128816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.128816 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -84.854
Base-Backbone interact. energy: -0.255
local terms energy: -96.863183
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -199.159684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.159684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.159684 (E_RNA)
where:
Base-Base interactions energy: -111.373
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.205
local terms energy: -87.581429
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -182.651200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651200 (E_RNA)
where:
Base-Base interactions energy: -101.649
where: short stacking energy: -54.680
Base-Backbone interact. energy: -1.091
local terms energy: -79.910625
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -182.502079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.502079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.502079 (E_RNA)
where:
Base-Base interactions energy: -107.803
where: short stacking energy: -62.560
Base-Backbone interact. energy: 0.133
local terms energy: -74.831757
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -11.116
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: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -129.571097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.571097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.571097 (E_RNA)
where:
Base-Base interactions energy: -54.033
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.216
local terms energy: -75.322482
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -413.326472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.326472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.326472 (E_RNA)
where:
Base-Base interactions energy: -284.351
where: short stacking energy: -135.481
Base-Backbone interact. energy: 0.808
local terms energy: -129.783624
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -33.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -363.060455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.060455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.060455 (E_RNA)
where:
Base-Base interactions energy: -241.779
where: short stacking energy: -132.144
Base-Backbone interact. energy: -0.381
local terms energy: -120.900363
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -32.029
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -349.218843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.218843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.218843 (E_RNA)
where:
Base-Base interactions energy: -226.931
where: short stacking energy: -117.253
Base-Backbone interact. energy: -2.137
local terms energy: -120.150912
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -30.397
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: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -350.893486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.893486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.893486 (E_RNA)
where:
Base-Base interactions energy: -227.366
where: short stacking energy: -134.011
Base-Backbone interact. energy: -1.190
local terms energy: -122.337600
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -35.619
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: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -297.930500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.930500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.930500 (E_RNA)
where:
Base-Base interactions energy: -184.844
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.588
local terms energy: -112.498490
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -23.162
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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -263.756205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.756205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.756205 (E_RNA)
where:
Base-Base interactions energy: -162.440
where: short stacking energy: -95.156
Base-Backbone interact. energy: -0.294
local terms energy: -101.022074
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -200.605981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.605981 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -66.286
Base-Backbone interact. energy: -1.333
local terms energy: -79.398131
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -202.125631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.125631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125631 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.191
local terms energy: -76.449585
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -12.166
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: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -155.943658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.943658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.943658 (E_RNA)
where:
Base-Base interactions energy: -93.902
where: short stacking energy: -48.663
Base-Backbone interact. energy: -1.552
local terms energy: -60.490257
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -116.441737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.441737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.441737 (E_RNA)
where:
Base-Base interactions energy: -48.099
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.338
local terms energy: -68.004601
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -5.568
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: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -401.866537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.866537 (E_RNA)
where:
Base-Base interactions energy: -282.749
where: short stacking energy: -134.440
Base-Backbone interact. energy: 1.383
local terms energy: -120.500754
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -30.142
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -371.225219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.225219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.225219 (E_RNA)
where:
Base-Base interactions energy: -246.439
where: short stacking energy: -128.008
Base-Backbone interact. energy: -0.452
local terms energy: -124.334779
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -357.322915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.322915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.322915 (E_RNA)
where:
Base-Base interactions energy: -237.293
where: short stacking energy: -124.523
Base-Backbone interact. energy: -0.227
local terms energy: -119.802932
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -33.213
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: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -325.050822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.050822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.050822 (E_RNA)
where:
Base-Base interactions energy: -209.442
where: short stacking energy: -113.718
Base-Backbone interact. energy: -0.055
local terms energy: -115.553844
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -345.594016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.594016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.594016 (E_RNA)
where:
Base-Base interactions energy: -233.062
where: short stacking energy: -129.162
Base-Backbone interact. energy: -0.175
local terms energy: -112.357448
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -241.068057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.068057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.068057 (E_RNA)
where:
Base-Base interactions energy: -145.586
where: short stacking energy: -82.201
Base-Backbone interact. energy: -0.123
local terms energy: -95.359057
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -213.074244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074244 (E_RNA)
where:
Base-Base interactions energy: -115.807
where: short stacking energy: -74.830
Base-Backbone interact. energy: 0.014
local terms energy: -97.280457
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -14.444
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: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -237.298920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.298920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298920 (E_RNA)
where:
Base-Base interactions energy: -150.119
where: short stacking energy: -74.074
Base-Backbone interact. energy: -1.118
local terms energy: -86.061661
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -149.078519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.078519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.078519 (E_RNA)
where:
Base-Base interactions energy: -74.036
where: short stacking energy: -68.173
Base-Backbone interact. energy: 1.611
local terms energy: -76.653484
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -128.686944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.686944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.686944 (E_RNA)
where:
Base-Base interactions energy: -61.169
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.444
local terms energy: -67.074601
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -5.342
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: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -395.262671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.262671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.262671 (E_RNA)
where:
Base-Base interactions energy: -274.238
where: short stacking energy: -127.504
Base-Backbone interact. energy: -0.629
local terms energy: -120.395313
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -31.844
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: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -372.267631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.267631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.267631 (E_RNA)
where:
Base-Base interactions energy: -252.585
where: short stacking energy: -136.936
Base-Backbone interact. energy: -0.148
local terms energy: -119.534378
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -366.476299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.476299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.476299 (E_RNA)
where:
Base-Base interactions energy: -241.750
where: short stacking energy: -125.226
Base-Backbone interact. energy: -0.005
local terms energy: -124.720775
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -310.187940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.187940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.187940 (E_RNA)
where:
Base-Base interactions energy: -201.778
where: short stacking energy: -102.723
Base-Backbone interact. energy: -0.165
local terms energy: -108.244799
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -317.293662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.293662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.293662 (E_RNA)
where:
Base-Base interactions energy: -202.366
where: short stacking energy: -103.199
Base-Backbone interact. energy: -0.464
local terms energy: -114.463615
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -26.801
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: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -248.546300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.546300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.546300 (E_RNA)
where:
Base-Base interactions energy: -156.499
where: short stacking energy: -91.678
Base-Backbone interact. energy: 0.090
local terms energy: -92.137146
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -220.265593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.265593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.265593 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.085
local terms energy: -93.243377
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -201.696258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.696258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.696258 (E_RNA)
where:
Base-Base interactions energy: -119.805
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.152
local terms energy: -81.739258
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -14.316
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: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -128.068937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.068937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.068937 (E_RNA)
where:
Base-Base interactions energy: -55.299
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.942
local terms energy: -71.827841
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -113.148504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.148504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.148504 (E_RNA)
where:
Base-Base interactions energy: -41.521
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.216
local terms energy: -71.411603
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -0.508
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -403.031958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.031958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.031958 (E_RNA)
where:
Base-Base interactions energy: -277.010
where: short stacking energy: -129.072
Base-Backbone interact. energy: -1.876
local terms energy: -124.145387
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -366.049353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.049353 (E_RNA)
where:
Base-Base interactions energy: -248.160
where: short stacking energy: -117.138
Base-Backbone interact. energy: -0.259
local terms energy: -117.630673
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -33.393
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: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -377.964828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.964828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.964828 (E_RNA)
where:
Base-Base interactions energy: -254.076
where: short stacking energy: -137.206
Base-Backbone interact. energy: -0.004
local terms energy: -123.884532
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -35.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -328.762729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.762729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.762729 (E_RNA)
where:
Base-Base interactions energy: -214.396
where: short stacking energy: -117.418
Base-Backbone interact. energy: -2.296
local terms energy: -112.070763
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -31.874
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: 435
Temperature: 1.100000
Total energy: -296.017914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.017914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.017914 (E_RNA)
where:
Base-Base interactions energy: -197.275
where: short stacking energy: -100.273
Base-Backbone interact. energy: -0.162
local terms energy: -98.581014
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -21.528
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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -227.486253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.486253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.486253 (E_RNA)
where:
Base-Base interactions energy: -140.880
where: short stacking energy: -81.289
Base-Backbone interact. energy: -0.224
local terms energy: -86.381586
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -16.361
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: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -217.934490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.934490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.934490 (E_RNA)
where:
Base-Base interactions energy: -133.811
where: short stacking energy: -75.328
Base-Backbone interact. energy: -0.194
local terms energy: -83.928863
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -189.111098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.111098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.111098 (E_RNA)
where:
Base-Base interactions energy: -120.070
where: short stacking energy: -60.674
Base-Backbone interact. energy: 2.303
local terms energy: -71.344173
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -6.157
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: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -126.802836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.802836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.802836 (E_RNA)
where:
Base-Base interactions energy: -54.257
where: short stacking energy: -47.167
Base-Backbone interact. energy: 2.495
local terms energy: -75.040882
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -127.642278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.642278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.642278 (E_RNA)
where:
Base-Base interactions energy: -52.800
where: short stacking energy: -27.878
Base-Backbone interact. energy: -1.381
local terms energy: -73.460818
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -401.311548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.311548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.311548 (E_RNA)
where:
Base-Base interactions energy: -278.704
where: short stacking energy: -125.961
Base-Backbone interact. energy: -0.357
local terms energy: -122.251092
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -31.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -378.858660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.858660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.858660 (E_RNA)
where:
Base-Base interactions energy: -256.164
where: short stacking energy: -125.143
Base-Backbone interact. energy: -0.069
local terms energy: -122.625424
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -28.801
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: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -328.785735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.785735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.785735 (E_RNA)
where:
Base-Base interactions energy: -218.361
where: short stacking energy: -115.387
Base-Backbone interact. energy: -1.227
local terms energy: -109.197682
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -354.083582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.083582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.083582 (E_RNA)
where:
Base-Base interactions energy: -228.793
where: short stacking energy: -115.113
Base-Backbone interact. energy: -1.449
local terms energy: -123.841892
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -31.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -306.722330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.722330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.722330 (E_RNA)
where:
Base-Base interactions energy: -206.396
where: short stacking energy: -102.967
Base-Backbone interact. energy: -0.321
local terms energy: -100.004926
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -248.979514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.979514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.979514 (E_RNA)
where:
Base-Base interactions energy: -153.818
where: short stacking energy: -81.765
Base-Backbone interact. energy: -0.349
local terms energy: -94.811777
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -240.117308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.117308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.117308 (E_RNA)
where:
Base-Base interactions energy: -153.334
where: short stacking energy: -82.168
Base-Backbone interact. energy: -0.108
local terms energy: -86.675184
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -16.025
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: 436
Temperature: 1.250000
Total energy: -226.833720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.833720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.833720 (E_RNA)
where:
Base-Base interactions energy: -138.756
where: short stacking energy: -73.826
Base-Backbone interact. energy: -0.345
local terms energy: -87.733459
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -20.000
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: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -130.754497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.754497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.754497 (E_RNA)
where:
Base-Base interactions energy: -58.202
where: short stacking energy: -49.795
Base-Backbone interact. energy: 1.448
local terms energy: -74.000576
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -125.435381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.435381 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -43.160
Base-Backbone interact. energy: -0.323
local terms energy: -82.504505
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -7.683
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -411.688120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.688120 (E_RNA)
where:
Base-Base interactions energy: -285.840
where: short stacking energy: -137.982
Base-Backbone interact. energy: -0.974
local terms energy: -124.873745
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -17.925
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -364.488829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.488829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.488829 (E_RNA)
where:
Base-Base interactions energy: -249.634
where: short stacking energy: -125.258
Base-Backbone interact. energy: -0.259
local terms energy: -114.595294
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -31.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -343.470507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.470507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.470507 (E_RNA)
where:
Base-Base interactions energy: -229.001
where: short stacking energy: -116.764
Base-Backbone interact. energy: -0.494
local terms energy: -113.975181
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -24.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -310.784353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.784353 (E_RNA)
where:
Base-Base interactions energy: -205.723
where: short stacking energy: -112.462
Base-Backbone interact. energy: -0.912
local terms energy: -104.149542
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -339.797574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.797574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.797574 (E_RNA)
where:
Base-Base interactions energy: -229.346
where: short stacking energy: -121.526
Base-Backbone interact. energy: 0.532
local terms energy: -110.984244
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -32.804
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -262.766480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.766480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.766480 (E_RNA)
where:
Base-Base interactions energy: -166.007
where: short stacking energy: -84.456
Base-Backbone interact. energy: -0.097
local terms energy: -96.663149
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -228.516907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.516907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.516907 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -87.258
Base-Backbone interact. energy: -0.639
local terms energy: -82.127835
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -14.640
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: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -208.716050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.716050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.716050 (E_RNA)
where:
Base-Base interactions energy: -121.368
where: short stacking energy: -74.148
Base-Backbone interact. energy: -0.874
local terms energy: -86.473947
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -130.095213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.095213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.095213 (E_RNA)
where:
Base-Base interactions energy: -54.198
where: short stacking energy: -50.519
Base-Backbone interact. energy: 0.036
local terms energy: -75.933011
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -139.177928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.177928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.177928 (E_RNA)
where:
Base-Base interactions energy: -55.843
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.054
local terms energy: -83.281719
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -408.151050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.151050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.151050 (E_RNA)
where:
Base-Base interactions energy: -282.153
where: short stacking energy: -118.682
Base-Backbone interact. energy: -1.478
local terms energy: -124.520568
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -371.540478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.540478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.540478 (E_RNA)
where:
Base-Base interactions energy: -253.531
where: short stacking energy: -136.832
Base-Backbone interact. energy: -0.090
local terms energy: -117.919105
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: -35.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -351.946238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.946238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.946238 (E_RNA)
where:
Base-Base interactions energy: -229.473
where: short stacking energy: -131.225
Base-Backbone interact. energy: -0.035
local terms energy: -122.437976
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -31.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -339.222380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.222380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.222380 (E_RNA)
where:
Base-Base interactions energy: -227.384
where: short stacking energy: -126.045
Base-Backbone interact. energy: -0.380
local terms energy: -111.457993
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -29.414
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -339.250410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.250410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.250410 (E_RNA)
where:
Base-Base interactions energy: -223.342
where: short stacking energy: -122.016
Base-Backbone interact. energy: -0.297
local terms energy: -115.611231
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -34.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -264.662793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.662793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.662793 (E_RNA)
where:
Base-Base interactions energy: -179.294
where: short stacking energy: -85.790
Base-Backbone interact. energy: 0.330
local terms energy: -85.698259
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -239.465205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.465205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.465205 (E_RNA)
where:
Base-Base interactions energy: -145.669
where: short stacking energy: -92.347
Base-Backbone interact. energy: -0.106
local terms energy: -93.689801
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -227.425748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.425748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.425748 (E_RNA)
where:
Base-Base interactions energy: -137.463
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.120
local terms energy: -89.842563
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -131.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.998032 (E_RNA)
where:
Base-Base interactions energy: -46.428
where: short stacking energy: -44.185
Base-Backbone interact. energy: -0.520
local terms energy: -85.049609
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -128.797431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.797431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.797431 (E_RNA)
where:
Base-Base interactions energy: -47.333
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.270
local terms energy: -81.194243
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -405.622955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.622955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.622955 (E_RNA)
where:
Base-Base interactions energy: -283.128
where: short stacking energy: -134.699
Base-Backbone interact. energy: -0.552
local terms energy: -121.942451
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -28.816
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: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -362.577002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.577002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.577002 (E_RNA)
where:
Base-Base interactions energy: -234.863
where: short stacking energy: -136.406
Base-Backbone interact. energy: -0.460
local terms energy: -127.253782
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -33.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -342.573150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.573150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.573150 (E_RNA)
where:
Base-Base interactions energy: -220.090
where: short stacking energy: -118.239
Base-Backbone interact. energy: -0.027
local terms energy: -122.456925
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -326.640955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.640955 (E_RNA)
where:
Base-Base interactions energy: -218.167
where: short stacking energy: -108.464
Base-Backbone interact. energy: -0.064
local terms energy: -108.410268
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -28.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -324.973524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.973524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.973524 (E_RNA)
where:
Base-Base interactions energy: -207.171
where: short stacking energy: -107.282
Base-Backbone interact. energy: -0.007
local terms energy: -117.795936
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -264.564313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.564313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.564313 (E_RNA)
where:
Base-Base interactions energy: -171.174
where: short stacking energy: -90.639
Base-Backbone interact. energy: -0.758
local terms energy: -92.632109
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -13.769
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: 439
Temperature: 1.200000
Total energy: -212.041049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.041049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.041049 (E_RNA)
where:
Base-Base interactions energy: -119.345
where: short stacking energy: -72.623
Base-Backbone interact. energy: -0.214
local terms energy: -92.481994
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -234.900525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.900525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.900525 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.401
local terms energy: -93.117664
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -18.779
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: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -124.684937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.684937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.684937 (E_RNA)
where:
Base-Base interactions energy: -47.113
where: short stacking energy: -34.679
Base-Backbone interact. energy: -0.461
local terms energy: -77.110315
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -2.353
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: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -117.279860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.279860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.279860 (E_RNA)
where:
Base-Base interactions energy: -49.656
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.260
local terms energy: -67.363735
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -4.651
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: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -401.370551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.370551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.370551 (E_RNA)
where:
Base-Base interactions energy: -280.388
where: short stacking energy: -130.101
Base-Backbone interact. energy: 0.297
local terms energy: -121.280286
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -31.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -369.479758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.479758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.479758 (E_RNA)
where:
Base-Base interactions energy: -246.520
where: short stacking energy: -122.808
Base-Backbone interact. energy: -0.046
local terms energy: -122.913756
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -32.853
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: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -342.789307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.789307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.789307 (E_RNA)
where:
Base-Base interactions energy: -229.885
where: short stacking energy: -105.051
Base-Backbone interact. energy: -0.061
local terms energy: -112.843121
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -28.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -337.834042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.834042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.834042 (E_RNA)
where:
Base-Base interactions energy: -223.008
where: short stacking energy: -114.978
Base-Backbone interact. energy: 0.419
local terms energy: -115.245231
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -25.698
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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -307.697064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.697064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.697064 (E_RNA)
where:
Base-Base interactions energy: -205.229
where: short stacking energy: -92.366
Base-Backbone interact. energy: -1.033
local terms energy: -101.435299
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -23.608
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -264.321065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.321065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.321065 (E_RNA)
where:
Base-Base interactions energy: -178.433
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.877
local terms energy: -85.010410
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -13.125
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: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -237.196398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.196398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.196398 (E_RNA)
where:
Base-Base interactions energy: -144.841
where: short stacking energy: -85.509
Base-Backbone interact. energy: 0.491
local terms energy: -92.846306
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -200.047079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.047079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.047079 (E_RNA)
where:
Base-Base interactions energy: -116.660
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.383
local terms energy: -83.003715
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -12.622
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -152.822621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.822621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.822621 (E_RNA)
where:
Base-Base interactions energy: -67.107
where: short stacking energy: -57.251
Base-Backbone interact. energy: 0.251
local terms energy: -85.967055
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -12.680
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -120.000314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.000314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.000314 (E_RNA)
where:
Base-Base interactions energy: -48.900
where: short stacking energy: -48.900
Base-Backbone interact. energy: -0.050
local terms energy: -71.049775
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -407.958711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.958711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.958711 (E_RNA)
where:
Base-Base interactions energy: -286.771
where: short stacking energy: -126.170
Base-Backbone interact. energy: -0.782
local terms energy: -120.405951
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -32.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -359.448767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.448767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.448767 (E_RNA)
where:
Base-Base interactions energy: -233.402
where: short stacking energy: -122.092
Base-Backbone interact. energy: -0.686
local terms energy: -125.361417
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -355.822692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.822692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.822692 (E_RNA)
where:
Base-Base interactions energy: -238.901
where: short stacking energy: -119.296
Base-Backbone interact. energy: -0.448
local terms energy: -116.473126
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -338.809709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.809709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.809709 (E_RNA)
where:
Base-Base interactions energy: -222.814
where: short stacking energy: -124.828
Base-Backbone interact. energy: -0.353
local terms energy: -115.642526
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -32.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -296.843164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.843164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.843164 (E_RNA)
where:
Base-Base interactions energy: -193.147
where: short stacking energy: -96.081
Base-Backbone interact. energy: 0.215
local terms energy: -103.911521
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -19.338
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: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -269.393249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.393249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.393249 (E_RNA)
where:
Base-Base interactions energy: -177.447
where: short stacking energy: -94.386
Base-Backbone interact. energy: -0.329
local terms energy: -91.617742
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -240.001411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.001411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.001411 (E_RNA)
where:
Base-Base interactions energy: -145.477
where: short stacking energy: -90.655
Base-Backbone interact. energy: -0.568
local terms energy: -93.955882
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -19.977
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: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -191.551010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.551010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.551010 (E_RNA)
where:
Base-Base interactions energy: -105.608
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.283
local terms energy: -85.659560
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -135.564715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.564715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.564715 (E_RNA)
where:
Base-Base interactions energy: -60.917
where: short stacking energy: -43.294
Base-Backbone interact. energy: -0.387
local terms energy: -74.260183
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -1.881
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -121.236982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.236982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.236982 (E_RNA)
where:
Base-Base interactions energy: -37.333
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.189
local terms energy: -83.715009
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -409.574315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.574315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.574315 (E_RNA)
where:
Base-Base interactions energy: -277.987
where: short stacking energy: -124.975
Base-Backbone interact. energy: -1.436
local terms energy: -130.152102
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -356.867567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.867567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.867567 (E_RNA)
where:
Base-Base interactions energy: -236.619
where: short stacking energy: -121.223
Base-Backbone interact. energy: -0.217
local terms energy: -120.031224
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -30.909
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -350.802569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.802569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.802569 (E_RNA)
where:
Base-Base interactions energy: -231.805
where: short stacking energy: -128.170
Base-Backbone interact. energy: -1.467
local terms energy: -117.530178
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -29.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -353.096456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.096456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.096456 (E_RNA)
where:
Base-Base interactions energy: -227.488
where: short stacking energy: -111.083
Base-Backbone interact. energy: -0.572
local terms energy: -125.037305
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -30.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -285.001535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.001535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.001535 (E_RNA)
where:
Base-Base interactions energy: -183.192
where: short stacking energy: -84.331
Base-Backbone interact. energy: -0.093
local terms energy: -101.716021
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -15.489
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: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -283.939807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.939807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.939807 (E_RNA)
where:
Base-Base interactions energy: -186.184
where: short stacking energy: -89.851
Base-Backbone interact. energy: -0.892
local terms energy: -96.863306
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -18.382
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: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -216.645613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.645613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.645613 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -75.544
Base-Backbone interact. energy: -0.668
local terms energy: -84.753745
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -200.062366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062366 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.147
local terms energy: -92.889281
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -136.961513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.961513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.961513 (E_RNA)
where:
Base-Base interactions energy: -62.365
where: short stacking energy: -62.365
Base-Backbone interact. energy: 0.701
local terms energy: -75.297425
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -136.302984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.302984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.302984 (E_RNA)
where:
Base-Base interactions energy: -57.371
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.077
local terms energy: -78.855589
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -410.435183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.435183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.435183 (E_RNA)
where:
Base-Base interactions energy: -282.267
where: short stacking energy: -139.179
Base-Backbone interact. energy: -1.445
local terms energy: -126.723204
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -33.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -354.920959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.920959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.920959 (E_RNA)
where:
Base-Base interactions energy: -233.097
where: short stacking energy: -126.458
Base-Backbone interact. energy: -0.928
local terms energy: -120.895894
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -372.537141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.537141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.537141 (E_RNA)
where:
Base-Base interactions energy: -254.672
where: short stacking energy: -128.677
Base-Backbone interact. energy: -0.002
local terms energy: -117.863140
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -30.406
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: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -343.116203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.116203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.116203 (E_RNA)
where:
Base-Base interactions energy: -228.544
where: short stacking energy: -115.517
Base-Backbone interact. energy: -0.746
local terms energy: -113.825703
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -30.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -302.771402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.771402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.771402 (E_RNA)
where:
Base-Base interactions energy: -192.914
where: short stacking energy: -95.065
Base-Backbone interact. energy: 0.596
local terms energy: -110.453138
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -26.149
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -301.074540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.074540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.074540 (E_RNA)
where:
Base-Base interactions energy: -204.917
where: short stacking energy: -101.996
Base-Backbone interact. energy: -3.541
local terms energy: -92.616032
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -19.540
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: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -233.676061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.676061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.676061 (E_RNA)
where:
Base-Base interactions energy: -142.511
where: short stacking energy: -82.355
Base-Backbone interact. energy: -0.148
local terms energy: -91.017065
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -19.219
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: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -204.034101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.034101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.034101 (E_RNA)
where:
Base-Base interactions energy: -109.911
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.094
local terms energy: -94.029886
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -144.189773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.189773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.189773 (E_RNA)
where:
Base-Base interactions energy: -56.345
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.065
local terms energy: -87.779410
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -126.220724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.220724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.220724 (E_RNA)
where:
Base-Base interactions energy: -53.865
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.006
local terms energy: -72.349022
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -410.298715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.298715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.298715 (E_RNA)
where:
Base-Base interactions energy: -285.249
where: short stacking energy: -133.958
Base-Backbone interact. energy: -1.315
local terms energy: -123.735057
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -34.387
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -355.542451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.542451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.542451 (E_RNA)
where:
Base-Base interactions energy: -236.642
where: short stacking energy: -119.369
Base-Backbone interact. energy: -0.062
local terms energy: -118.838680
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -351.187388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.187388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.187388 (E_RNA)
where:
Base-Base interactions energy: -230.389
where: short stacking energy: -133.786
Base-Backbone interact. energy: -0.144
local terms energy: -120.653873
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -319.561714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.561714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.561714 (E_RNA)
where:
Base-Base interactions energy: -220.694
where: short stacking energy: -109.700
Base-Backbone interact. energy: -0.343
local terms energy: -98.524315
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -22.282
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -312.395725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.395725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.395725 (E_RNA)
where:
Base-Base interactions energy: -209.046
where: short stacking energy: -111.295
Base-Backbone interact. energy: -0.409
local terms energy: -102.940701
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -25.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -277.644366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.644366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.644366 (E_RNA)
where:
Base-Base interactions energy: -181.901
where: short stacking energy: -95.001
Base-Backbone interact. energy: -0.567
local terms energy: -95.175920
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -225.254285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254285 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -82.631
Base-Backbone interact. energy: -0.172
local terms energy: -99.185921
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -17.682
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: 444
Temperature: 1.250000
Total energy: -240.201521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.201521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.201521 (E_RNA)
where:
Base-Base interactions energy: -148.655
where: short stacking energy: -76.039
Base-Backbone interact. energy: -0.536
local terms energy: -91.010286
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -10.577
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: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -121.865829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.865829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.865829 (E_RNA)
where:
Base-Base interactions energy: -53.365
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.512
local terms energy: -67.988517
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -120.654025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.654025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.654025 (E_RNA)
where:
Base-Base interactions energy: -56.416
where: short stacking energy: -37.604
Base-Backbone interact. energy: 0.963
local terms energy: -65.200718
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.115
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: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -419.490671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.490671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.490671 (E_RNA)
where:
Base-Base interactions energy: -294.689
where: short stacking energy: -131.641
Base-Backbone interact. energy: -0.394
local terms energy: -124.408212
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -32.256
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: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -370.206967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.206967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.206967 (E_RNA)
where:
Base-Base interactions energy: -251.632
where: short stacking energy: -125.720
Base-Backbone interact. energy: -0.003
local terms energy: -118.571885
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -32.360
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: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -330.057589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.057589 (E_RNA)
where:
Base-Base interactions energy: -211.719
where: short stacking energy: -113.243
Base-Backbone interact. energy: -0.071
local terms energy: -118.267413
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -24.297
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: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -335.932621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.932621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.932621 (E_RNA)
where:
Base-Base interactions energy: -215.656
where: short stacking energy: -105.179
Base-Backbone interact. energy: -0.773
local terms energy: -119.503596
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -27.873
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: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -329.904355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.904355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.904355 (E_RNA)
where:
Base-Base interactions energy: -220.457
where: short stacking energy: -114.352
Base-Backbone interact. energy: -0.003
local terms energy: -109.444750
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -299.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.649711 (E_RNA)
where:
Base-Base interactions energy: -193.630
where: short stacking energy: -107.112
Base-Backbone interact. energy: -0.109
local terms energy: -105.910594
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -220.150587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.150587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.150587 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -78.814
Base-Backbone interact. energy: -0.002
local terms energy: -79.769618
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -12.607
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -238.850286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.850286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.850286 (E_RNA)
where:
Base-Base interactions energy: -151.454
where: short stacking energy: -88.607
Base-Backbone interact. energy: -0.579
local terms energy: -86.816920
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -16.893
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -139.286479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.286479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.286479 (E_RNA)
where:
Base-Base interactions energy: -74.845
where: short stacking energy: -41.624
Base-Backbone interact. energy: -1.006
local terms energy: -63.434687
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.777
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: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -123.966153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.966153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.966153 (E_RNA)
where:
Base-Base interactions energy: -45.927
where: short stacking energy: -45.927
Base-Backbone interact. energy: 0.845
local terms energy: -78.883837
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -406.770783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.770783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.770783 (E_RNA)
where:
Base-Base interactions energy: -288.992
where: short stacking energy: -141.319
Base-Backbone interact. energy: 0.966
local terms energy: -118.744517
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -32.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -379.800524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.800524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.800524 (E_RNA)
where:
Base-Base interactions energy: -255.725
where: short stacking energy: -124.244
Base-Backbone interact. energy: -0.191
local terms energy: -123.884693
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -348.872969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.872969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.872969 (E_RNA)
where:
Base-Base interactions energy: -223.553
where: short stacking energy: -116.363
Base-Backbone interact. energy: -0.092
local terms energy: -125.228387
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -31.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -320.602634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.602634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.602634 (E_RNA)
where:
Base-Base interactions energy: -212.487
where: short stacking energy: -116.401
Base-Backbone interact. energy: -0.027
local terms energy: -108.088463
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -342.960247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.960247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.960247 (E_RNA)
where:
Base-Base interactions energy: -225.085
where: short stacking energy: -117.385
Base-Backbone interact. energy: -0.037
local terms energy: -117.838838
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -31.367
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: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -312.821060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.821060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.821060 (E_RNA)
where:
Base-Base interactions energy: -203.985
where: short stacking energy: -117.322
Base-Backbone interact. energy: -1.176
local terms energy: -107.659565
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -30.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -251.711110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.711110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.711110 (E_RNA)
where:
Base-Base interactions energy: -164.929
where: short stacking energy: -98.705
Base-Backbone interact. energy: -0.333
local terms energy: -86.449052
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -213.970789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.970789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.970789 (E_RNA)
where:
Base-Base interactions energy: -137.297
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.308
local terms energy: -76.365911
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -12.880
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: 446
Temperature: 1.300000
Total energy: -138.671679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.671679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.671679 (E_RNA)
where:
Base-Base interactions energy: -58.820
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.336
local terms energy: -79.516120
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: 4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -115.391399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.391399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.391399 (E_RNA)
where:
Base-Base interactions energy: -53.247
where: short stacking energy: -37.045
Base-Backbone interact. energy: -0.366
local terms energy: -61.777549
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: 1.529
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: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -399.750637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.750637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.750637 (E_RNA)
where:
Base-Base interactions energy: -279.189
where: short stacking energy: -135.254
Base-Backbone interact. energy: -1.250
local terms energy: -119.311424
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -31.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -359.562783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.562783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.562783 (E_RNA)
where:
Base-Base interactions energy: -238.976
where: short stacking energy: -127.636
Base-Backbone interact. energy: -0.470
local terms energy: -120.116319
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -30.542
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: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -359.021943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.021943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.021943 (E_RNA)
where:
Base-Base interactions energy: -243.168
where: short stacking energy: -117.626
Base-Backbone interact. energy: 1.216
local terms energy: -117.069196
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -30.639
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -353.526031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.526031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.526031 (E_RNA)
where:
Base-Base interactions energy: -239.755
where: short stacking energy: -125.061
Base-Backbone interact. energy: -0.001
local terms energy: -113.770021
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -327.772735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.772735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.772735 (E_RNA)
where:
Base-Base interactions energy: -229.255
where: short stacking energy: -111.829
Base-Backbone interact. energy: -0.161
local terms energy: -98.356663
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -25.466
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -276.622914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.622914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.622914 (E_RNA)
where:
Base-Base interactions energy: -179.638
where: short stacking energy: -93.039
Base-Backbone interact. energy: 0.319
local terms energy: -97.303362
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -15.381
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: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -216.935013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935013 (E_RNA)
where:
Base-Base interactions energy: -135.219
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.130
local terms energy: -81.586719
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -206.941665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.941665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.941665 (E_RNA)
where:
Base-Base interactions energy: -116.537
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.054
local terms energy: -90.350766
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -8.178
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: 447
Temperature: 1.300000
Total energy: -130.344922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.344922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.344922 (E_RNA)
where:
Base-Base interactions energy: -51.048
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.165
local terms energy: -79.132021
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -119.708271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.708271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.708271 (E_RNA)
where:
Base-Base interactions energy: -46.268
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.297
local terms energy: -73.143015
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -356.489950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.489950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.489950 (E_RNA)
where:
Base-Base interactions energy: -227.659
where: short stacking energy: -122.450
Base-Backbone interact. energy: -0.003
local terms energy: -128.827787
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -29.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -387.188178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.188178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.188178 (E_RNA)
where:
Base-Base interactions energy: -265.838
where: short stacking energy: -123.824
Base-Backbone interact. energy: 0.069
local terms energy: -121.419286
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -30.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -348.130360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.130360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.130360 (E_RNA)
where:
Base-Base interactions energy: -229.517
where: short stacking energy: -123.193
Base-Backbone interact. energy: -0.127
local terms energy: -118.486562
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -30.521
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: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -355.189069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.189069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.189069 (E_RNA)
where:
Base-Base interactions energy: -225.047
where: short stacking energy: -132.215
Base-Backbone interact. energy: -0.037
local terms energy: -130.105099
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -19.412
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: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -317.330308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.330308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.330308 (E_RNA)
where:
Base-Base interactions energy: -214.018
where: short stacking energy: -115.055
Base-Backbone interact. energy: -1.437
local terms energy: -101.875362
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -281.461209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.461209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.461209 (E_RNA)
where:
Base-Base interactions energy: -190.113
where: short stacking energy: -85.916
Base-Backbone interact. energy: -0.154
local terms energy: -91.194470
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -231.914552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.914552 (E_RNA)
where:
Base-Base interactions energy: -136.777
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.154
local terms energy: -94.983790
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -218.752122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.752122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.752122 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -79.427
Base-Backbone interact. energy: -0.178
local terms energy: -79.907192
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -155.162545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.162545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.162545 (E_RNA)
where:
Base-Base interactions energy: -87.165
where: short stacking energy: -49.291
Base-Backbone interact. energy: 0.760
local terms energy: -68.757191
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -148.570441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.570441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.570441 (E_RNA)
where:
Base-Base interactions energy: -72.135
where: short stacking energy: -69.502
Base-Backbone interact. energy: 0.181
local terms energy: -76.616422
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -366.620193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.620193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.620193 (E_RNA)
where:
Base-Base interactions energy: -246.768
where: short stacking energy: -130.447
Base-Backbone interact. energy: -0.083
local terms energy: -119.768290
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -31.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -390.013362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.013362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.013362 (E_RNA)
where:
Base-Base interactions energy: -266.193
where: short stacking energy: -124.123
Base-Backbone interact. energy: -1.756
local terms energy: -122.064520
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -349.060434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.060434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.060434 (E_RNA)
where:
Base-Base interactions energy: -232.576
where: short stacking energy: -112.576
Base-Backbone interact. energy: -1.015
local terms energy: -115.469344
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -27.597
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: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -365.837709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.837709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.837709 (E_RNA)
where:
Base-Base interactions energy: -248.761
where: short stacking energy: -135.725
Base-Backbone interact. energy: -0.174
local terms energy: -116.902994
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -36.113
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -303.608969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.608969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.608969 (E_RNA)
where:
Base-Base interactions energy: -206.784
where: short stacking energy: -111.165
Base-Backbone interact. energy: -0.013
local terms energy: -96.811451
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -265.661544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.661544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.661544 (E_RNA)
where:
Base-Base interactions energy: -169.123
where: short stacking energy: -87.662
Base-Backbone interact. energy: -0.595
local terms energy: -95.944248
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -24.928
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -236.778230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.778230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778230 (E_RNA)
where:
Base-Base interactions energy: -140.997
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.038
local terms energy: -95.743643
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -216.193651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.193651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.193651 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -67.527
Base-Backbone interact. energy: 0.448
local terms energy: -84.617508
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -172.008090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.008090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.008090 (E_RNA)
where:
Base-Base interactions energy: -94.115
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.030
local terms energy: -77.863015
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -134.271620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.271620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.271620 (E_RNA)
where:
Base-Base interactions energy: -58.572
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.937
local terms energy: -74.762696
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -408.550767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.550767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.550767 (E_RNA)
where:
Base-Base interactions energy: -285.679
where: short stacking energy: -134.621
Base-Backbone interact. energy: -0.565
local terms energy: -122.306206
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -32.603
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: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -355.923903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.923903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.923903 (E_RNA)
where:
Base-Base interactions energy: -242.483
where: short stacking energy: -125.460
Base-Backbone interact. energy: -0.003
local terms energy: -113.438231
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -349.888812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.888812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.888812 (E_RNA)
where:
Base-Base interactions energy: -239.007
where: short stacking energy: -111.753
Base-Backbone interact. energy: -0.020
local terms energy: -110.862075
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -27.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -338.025575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.025575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.025575 (E_RNA)
where:
Base-Base interactions energy: -238.839
where: short stacking energy: -113.355
Base-Backbone interact. energy: -0.572
local terms energy: -98.615184
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -22.499
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: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -297.236089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.236089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.236089 (E_RNA)
where:
Base-Base interactions energy: -187.267
where: short stacking energy: -91.922
Base-Backbone interact. energy: -0.427
local terms energy: -109.541866
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -265.510103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.510103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.510103 (E_RNA)
where:
Base-Base interactions energy: -165.713
where: short stacking energy: -90.026
Base-Backbone interact. energy: 0.367
local terms energy: -100.164288
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -19.927
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: 450
Temperature: 1.200000
Total energy: -223.448720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.448720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.448720 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -80.520
Base-Backbone interact. energy: 0.017
local terms energy: -89.893376
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -246.516650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.516650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.516650 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -85.178
Base-Backbone interact. energy: -0.461
local terms energy: -95.447943
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -20.432
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: 450
Temperature: 1.300000
Total energy: -139.864053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.864053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.864053 (E_RNA)
where:
Base-Base interactions energy: -67.068
where: short stacking energy: -56.831
Base-Backbone interact. energy: 0.846
local terms energy: -73.641250
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -117.943264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.943264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.943264 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.485
local terms energy: -73.013964
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -6.337
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -418.418093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.418093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.418093 (E_RNA)
where:
Base-Base interactions energy: -295.187
where: short stacking energy: -137.070
Base-Backbone interact. energy: -1.182
local terms energy: -122.049377
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -368.347749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.347749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.347749 (E_RNA)
where:
Base-Base interactions energy: -244.592
where: short stacking energy: -119.262
Base-Backbone interact. energy: -0.992
local terms energy: -122.762979
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -347.200532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.200532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.200532 (E_RNA)
where:
Base-Base interactions energy: -237.638
where: short stacking energy: -114.730
Base-Backbone interact. energy: -0.430
local terms energy: -109.132858
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -327.627732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.627732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.627732 (E_RNA)
where:
Base-Base interactions energy: -220.719
where: short stacking energy: -120.030
Base-Backbone interact. energy: -1.927
local terms energy: -104.981176
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -330.140633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.140633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.140633 (E_RNA)
where:
Base-Base interactions energy: -219.382
where: short stacking energy: -116.665
Base-Backbone interact. energy: -0.536
local terms energy: -110.222772
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -31.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -260.713224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.713224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.713224 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -95.704
Base-Backbone interact. energy: 0.153
local terms energy: -78.709781
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -18.894
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -235.851147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.851147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.851147 (E_RNA)
where:
Base-Base interactions energy: -142.902
where: short stacking energy: -90.337
Base-Backbone interact. energy: -0.053
local terms energy: -92.896120
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -229.503449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.503449 (E_RNA)
where:
Base-Base interactions energy: -136.025
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.170
local terms energy: -93.308113
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -139.337079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.337079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.337079 (E_RNA)
where:
Base-Base interactions energy: -64.412
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.098
local terms energy: -74.826757
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -123.369271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.369271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.369271 (E_RNA)
where:
Base-Base interactions energy: -42.221
where: short stacking energy: -26.804
Base-Backbone interact. energy: -1.396
local terms energy: -79.751607
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -4.107
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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -405.674197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.674197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.674197 (E_RNA)
where:
Base-Base interactions energy: -276.099
where: short stacking energy: -131.134
Base-Backbone interact. energy: -1.284
local terms energy: -128.291559
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -30.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -355.772962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.772962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.772962 (E_RNA)
where:
Base-Base interactions energy: -241.833
where: short stacking energy: -126.449
Base-Backbone interact. energy: -0.152
local terms energy: -113.788627
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -360.559212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.559212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.559212 (E_RNA)
where:
Base-Base interactions energy: -233.801
where: short stacking energy: -123.668
Base-Backbone interact. energy: -0.181
local terms energy: -126.576684
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -34.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -313.490307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.490307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.490307 (E_RNA)
where:
Base-Base interactions energy: -209.321
where: short stacking energy: -110.420
Base-Backbone interact. energy: -0.342
local terms energy: -103.827461
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -324.255592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.255592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.255592 (E_RNA)
where:
Base-Base interactions energy: -216.342
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.022
local terms energy: -107.891690
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -27.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -277.414018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.414018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.414018 (E_RNA)
where:
Base-Base interactions energy: -165.866
where: short stacking energy: -89.344
Base-Backbone interact. energy: -0.043
local terms energy: -111.505175
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -23.742
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: 452
Temperature: 1.200000
Total energy: -226.354345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354345 (E_RNA)
where:
Base-Base interactions energy: -135.952
where: short stacking energy: -88.176
Base-Backbone interact. energy: -0.137
local terms energy: -90.265751
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -217.520438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.520438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.520438 (E_RNA)
where:
Base-Base interactions energy: -142.265
where: short stacking energy: -68.683
Base-Backbone interact. energy: -1.189
local terms energy: -74.066466
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -144.253902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.253902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.253902 (E_RNA)
where:
Base-Base interactions energy: -68.620
where: short stacking energy: -50.690
Base-Backbone interact. energy: 2.538
local terms energy: -78.171760
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -123.981716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.981716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.981716 (E_RNA)
where:
Base-Base interactions energy: -50.943
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.448
local terms energy: -72.591058
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -407.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.807544 (E_RNA)
where:
Base-Base interactions energy: -280.655
where: short stacking energy: -134.276
Base-Backbone interact. energy: -2.511
local terms energy: -124.641840
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -352.154900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.154900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.154900 (E_RNA)
where:
Base-Base interactions energy: -229.651
where: short stacking energy: -119.193
Base-Backbone interact. energy: -0.055
local terms energy: -122.448437
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -18.711
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: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -339.006552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.006552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.006552 (E_RNA)
where:
Base-Base interactions energy: -221.258
where: short stacking energy: -118.257
Base-Backbone interact. energy: -0.096
local terms energy: -117.652586
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -26.512
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: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -337.028222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.028222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.028222 (E_RNA)
where:
Base-Base interactions energy: -234.568
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.234
local terms energy: -102.226407
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -312.752867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.752867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.752867 (E_RNA)
where:
Base-Base interactions energy: -200.879
where: short stacking energy: -97.190
Base-Backbone interact. energy: -0.336
local terms energy: -111.538361
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -25.149
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: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -273.928398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.928398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.928398 (E_RNA)
where:
Base-Base interactions energy: -186.356
where: short stacking energy: -95.731
Base-Backbone interact. energy: -0.217
local terms energy: -87.355150
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -249.204332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.204332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.204332 (E_RNA)
where:
Base-Base interactions energy: -147.342
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.029
local terms energy: -101.832923
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -224.092830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.092830 (E_RNA)
where:
Base-Base interactions energy: -139.742
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.200
local terms energy: -84.151062
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -136.064835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.064835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.064835 (E_RNA)
where:
Base-Base interactions energy: -62.368
where: short stacking energy: -47.806
Base-Backbone interact. energy: -0.537
local terms energy: -73.159195
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -6.148
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: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -138.131846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.131846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.131846 (E_RNA)
where:
Base-Base interactions energy: -52.935
where: short stacking energy: -46.757
Base-Backbone interact. energy: 1.154
local terms energy: -86.351529
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -416.885025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.885025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.885025 (E_RNA)
where:
Base-Base interactions energy: -285.773
where: short stacking energy: -127.264
Base-Backbone interact. energy: -0.586
local terms energy: -130.525669
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -34.944
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: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -345.380860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.380860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.380860 (E_RNA)
where:
Base-Base interactions energy: -228.924
where: short stacking energy: -127.645
Base-Backbone interact. energy: -0.387
local terms energy: -116.069022
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -31.541
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -359.651999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.651999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.651999 (E_RNA)
where:
Base-Base interactions energy: -241.036
where: short stacking energy: -123.595
Base-Backbone interact. energy: -0.001
local terms energy: -118.615403
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -32.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -325.949892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.949892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.949892 (E_RNA)
where:
Base-Base interactions energy: -212.262
where: short stacking energy: -116.140
Base-Backbone interact. energy: -0.024
local terms energy: -113.664457
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -27.259
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -26.510
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: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -322.604981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.604981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.604981 (E_RNA)
where:
Base-Base interactions energy: -215.963
where: short stacking energy: -118.173
Base-Backbone interact. energy: -1.516
local terms energy: -105.126169
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -256.771851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.771851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.771851 (E_RNA)
where:
Base-Base interactions energy: -165.939
where: short stacking energy: -77.048
Base-Backbone interact. energy: -0.530
local terms energy: -90.302770
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -241.431894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.431894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.431894 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -91.707
Base-Backbone interact. energy: -0.358
local terms energy: -95.934020
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -211.008377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.008377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.008377 (E_RNA)
where:
Base-Base interactions energy: -124.089
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.559
local terms energy: -86.360675
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.907
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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -141.074119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.074119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.074119 (E_RNA)
where:
Base-Base interactions energy: -76.039
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.363
local terms energy: -64.671665
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -5.167
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: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -151.445952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.445952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.445952 (E_RNA)
where:
Base-Base interactions energy: -68.922
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.105
local terms energy: -82.419442
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -13.670
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: 455
Temperature: 0.900000
Total energy: -405.722546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.722546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.722546 (E_RNA)
where:
Base-Base interactions energy: -279.198
where: short stacking energy: -126.116
Base-Backbone interact. energy: -2.604
local terms energy: -123.920846
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -29.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -369.459838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.459838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.459838 (E_RNA)
where:
Base-Base interactions energy: -247.428
where: short stacking energy: -123.331
Base-Backbone interact. energy: -0.004
local terms energy: -122.027948
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -35.290
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: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -346.770042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.770042 (E_RNA)
where:
Base-Base interactions energy: -236.043
where: short stacking energy: -129.225
Base-Backbone interact. energy: -0.228
local terms energy: -110.499419
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -346.388444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.388444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.388444 (E_RNA)
where:
Base-Base interactions energy: -238.125
where: short stacking energy: -123.975
Base-Backbone interact. energy: -0.096
local terms energy: -108.167811
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -324.397130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.397130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.397130 (E_RNA)
where:
Base-Base interactions energy: -212.127
where: short stacking energy: -120.949
Base-Backbone interact. energy: -0.034
local terms energy: -112.235623
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -268.655367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.655367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.655367 (E_RNA)
where:
Base-Base interactions energy: -179.473
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.026
local terms energy: -89.156424
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -205.530841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530841 (E_RNA)
where:
Base-Base interactions energy: -117.646
where: short stacking energy: -70.526
Base-Backbone interact. energy: 0.407
local terms energy: -88.291571
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -11.511
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: 455
Temperature: 1.250000
Total energy: -237.543722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.543722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.543722 (E_RNA)
where:
Base-Base interactions energy: -150.078
where: short stacking energy: -71.268
Base-Backbone interact. energy: -1.378
local terms energy: -86.086978
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -146.515483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.515483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.515483 (E_RNA)
where:
Base-Base interactions energy: -65.430
where: short stacking energy: -58.811
Base-Backbone interact. energy: 0.297
local terms energy: -81.382578
where:
bonds (distance) C4'-P energy: -6.219
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -138.938576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.938576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.938576 (E_RNA)
where:
Base-Base interactions energy: -65.463
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.108
local terms energy: -73.367345
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -406.234726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.234726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.234726 (E_RNA)
where:
Base-Base interactions energy: -288.848
where: short stacking energy: -125.733
Base-Backbone interact. energy: -2.322
local terms energy: -115.064883
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -362.417172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.417172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.417172 (E_RNA)
where:
Base-Base interactions energy: -237.899
where: short stacking energy: -121.867
Base-Backbone interact. energy: -0.728
local terms energy: -123.790453
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -360.034688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.034688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.034688 (E_RNA)
where:
Base-Base interactions energy: -241.970
where: short stacking energy: -122.111
Base-Backbone interact. energy: -0.229
local terms energy: -117.836450
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -32.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -326.086149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.086149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.086149 (E_RNA)
where:
Base-Base interactions energy: -214.891
where: short stacking energy: -120.442
Base-Backbone interact. energy: -0.061
local terms energy: -111.134325
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -31.299
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -313.174923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.174923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.174923 (E_RNA)
where:
Base-Base interactions energy: -209.876
where: short stacking energy: -102.687
Base-Backbone interact. energy: -0.023
local terms energy: -103.276617
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -13.649
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: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -271.466939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.466939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.466939 (E_RNA)
where:
Base-Base interactions energy: -178.580
where: short stacking energy: -91.553
Base-Backbone interact. energy: -1.464
local terms energy: -91.422983
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -232.805713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805713 (E_RNA)
where:
Base-Base interactions energy: -145.231
where: short stacking energy: -86.434
Base-Backbone interact. energy: 0.511
local terms energy: -88.085773
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.384
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -206.741277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.741277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.741277 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -65.635
Base-Backbone interact. energy: 0.533
local terms energy: -91.938065
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -137.400543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.400543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.400543 (E_RNA)
where:
Base-Base interactions energy: -74.123
where: short stacking energy: -54.651
Base-Backbone interact. energy: 2.065
local terms energy: -65.343086
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -119.517934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.517934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.517934 (E_RNA)
where:
Base-Base interactions energy: -52.733
where: short stacking energy: -41.370
Base-Backbone interact. energy: -1.196
local terms energy: -65.588582
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -407.099632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.099632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.099632 (E_RNA)
where:
Base-Base interactions energy: -288.792
where: short stacking energy: -125.902
Base-Backbone interact. energy: -1.095
local terms energy: -117.212817
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -30.557
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: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -348.248944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.248944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.248944 (E_RNA)
where:
Base-Base interactions energy: -233.878
where: short stacking energy: -111.634
Base-Backbone interact. energy: 1.226
local terms energy: -115.597477
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -24.827
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: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -361.464270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.464270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.464270 (E_RNA)
where:
Base-Base interactions energy: -232.140
where: short stacking energy: -123.103
Base-Backbone interact. energy: -0.864
local terms energy: -128.459944
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -27.934
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -344.993910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.993910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.993910 (E_RNA)
where:
Base-Base interactions energy: -226.062
where: short stacking energy: -122.189
Base-Backbone interact. energy: 2.042
local terms energy: -120.974349
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -309.819540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.819540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.819540 (E_RNA)
where:
Base-Base interactions energy: -210.753
where: short stacking energy: -109.629
Base-Backbone interact. energy: -0.198
local terms energy: -98.868473
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -19.788
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: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -270.945853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.945853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.945853 (E_RNA)
where:
Base-Base interactions energy: -170.559
where: short stacking energy: -89.917
Base-Backbone interact. energy: -0.282
local terms energy: -100.104438
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -214.766338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.766338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766338 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.954
local terms energy: -94.329852
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -221.886907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.886907 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.649
local terms energy: -92.021477
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -14.963
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: 457
Temperature: 1.300000
Total energy: -134.839763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.839763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.839763 (E_RNA)
where:
Base-Base interactions energy: -58.708
where: short stacking energy: -48.341
Base-Backbone interact. energy: -0.240
local terms energy: -75.891610
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -4.552
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: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -137.363527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.363527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.363527 (E_RNA)
where:
Base-Base interactions energy: -62.746
where: short stacking energy: -62.772
Base-Backbone interact. energy: 1.775
local terms energy: -76.392204
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -392.786481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.786481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.786481 (E_RNA)
where:
Base-Base interactions energy: -268.651
where: short stacking energy: -117.252
Base-Backbone interact. energy: -1.537
local terms energy: -122.599022
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -354.973942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.973942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.973942 (E_RNA)
where:
Base-Base interactions energy: -231.694
where: short stacking energy: -126.159
Base-Backbone interact. energy: -0.570
local terms energy: -122.710599
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -317.137055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.137055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.137055 (E_RNA)
where:
Base-Base interactions energy: -204.152
where: short stacking energy: -106.338
Base-Backbone interact. energy: -0.148
local terms energy: -112.836637
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -338.984599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.984599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.984599 (E_RNA)
where:
Base-Base interactions energy: -214.503
where: short stacking energy: -118.979
Base-Backbone interact. energy: -0.032
local terms energy: -124.450388
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -32.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -252.936451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.936451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.936451 (E_RNA)
where:
Base-Base interactions energy: -163.296
where: short stacking energy: -77.192
Base-Backbone interact. energy: -0.475
local terms energy: -89.165710
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -12.332
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: 458
Temperature: 1.150000
Total energy: -292.548760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.548760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.548760 (E_RNA)
where:
Base-Base interactions energy: -191.505
where: short stacking energy: -103.135
Base-Backbone interact. energy: -0.092
local terms energy: -100.951651
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -225.099963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.099963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.099963 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -81.703
Base-Backbone interact. energy: 0.881
local terms energy: -80.970698
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -206.703207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.703207 (E_RNA)
where:
Base-Base interactions energy: -119.837
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.346
local terms energy: -86.519898
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -136.091856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.091856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.091856 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -50.087
Base-Backbone interact. energy: 0.613
local terms energy: -82.702277
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -9.463
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: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -131.909888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.909888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.909888 (E_RNA)
where:
Base-Base interactions energy: -51.686
where: short stacking energy: -23.990
Base-Backbone interact. energy: 0.058
local terms energy: -80.281025
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -404.518140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.518140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.518140 (E_RNA)
where:
Base-Base interactions energy: -290.350
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.588
local terms energy: -113.579998
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -31.506
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: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -347.403215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.403215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.403215 (E_RNA)
where:
Base-Base interactions energy: -221.653
where: short stacking energy: -116.282
Base-Backbone interact. energy: -0.375
local terms energy: -125.376029
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -30.748
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: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -337.687570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.687570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.687570 (E_RNA)
where:
Base-Base interactions energy: -218.636
where: short stacking energy: -118.529
Base-Backbone interact. energy: -0.007
local terms energy: -119.044439
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -31.800
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: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -340.590375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.590375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.590375 (E_RNA)
where:
Base-Base interactions energy: -221.158
where: short stacking energy: -121.279
Base-Backbone interact. energy: -1.253
local terms energy: -118.179316
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -30.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -245.346958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.346958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.346958 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -91.888
Base-Backbone interact. energy: -0.865
local terms energy: -96.192777
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -12.077
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: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -303.671222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.671222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.671222 (E_RNA)
where:
Base-Base interactions energy: -201.382
where: short stacking energy: -108.514
Base-Backbone interact. energy: -0.167
local terms energy: -102.121597
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -28.224
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -217.120123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.120123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.120123 (E_RNA)
where:
Base-Base interactions energy: -141.732
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.812
local terms energy: -74.575441
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -196.063351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.063351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.063351 (E_RNA)
where:
Base-Base interactions energy: -113.112
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.357
local terms energy: -82.594304
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -164.919570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919570 (E_RNA)
where:
Base-Base interactions energy: -84.716
where: short stacking energy: -57.482
Base-Backbone interact. energy: 0.516
local terms energy: -80.718911
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -126.774721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.774721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.774721 (E_RNA)
where:
Base-Base interactions energy: -58.661
where: short stacking energy: -49.441
Base-Backbone interact. energy: -0.178
local terms energy: -67.935659
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -5.707
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: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -398.428731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.428731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.428731 (E_RNA)
where:
Base-Base interactions energy: -277.758
where: short stacking energy: -127.159
Base-Backbone interact. energy: 0.658
local terms energy: -121.328746
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -32.414
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: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -358.221454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.221454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.221454 (E_RNA)
where:
Base-Base interactions energy: -240.035
where: short stacking energy: -128.028
Base-Backbone interact. energy: -1.100
local terms energy: -117.086423
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -33.527
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: 460
Temperature: 1.000000
Total energy: -336.973837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.973837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.973837 (E_RNA)
where:
Base-Base interactions energy: -223.616
where: short stacking energy: -111.874
Base-Backbone interact. energy: -1.040
local terms energy: -112.317330
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -26.160
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: 460
Temperature: 1.050000
Total energy: -319.227271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.227271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.227271 (E_RNA)
where:
Base-Base interactions energy: -204.094
where: short stacking energy: -106.322
Base-Backbone interact. energy: -1.002
local terms energy: -114.132033
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -28.984
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: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -304.510697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.510697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.510697 (E_RNA)
where:
Base-Base interactions energy: -198.402
where: short stacking energy: -109.229
Base-Backbone interact. energy: -0.284
local terms energy: -105.824687
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -25.113
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: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -237.163487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.163487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.163487 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -81.414
Base-Backbone interact. energy: 0.385
local terms energy: -94.413199
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -232.445817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.445817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.445817 (E_RNA)
where:
Base-Base interactions energy: -143.491
where: short stacking energy: -90.542
Base-Backbone interact. energy: -0.474
local terms energy: -88.480606
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -221.869099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869099 (E_RNA)
where:
Base-Base interactions energy: -134.532
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.726
local terms energy: -86.611016
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -138.458515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.458515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.458515 (E_RNA)
where:
Base-Base interactions energy: -58.774
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.239
local terms energy: -79.445121
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -13.195
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: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -186.465274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.465274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.465274 (E_RNA)
where:
Base-Base interactions energy: -115.695
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.466
local terms energy: -70.304587
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -401.425481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.425481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.425481 (E_RNA)
where:
Base-Base interactions energy: -290.464
where: short stacking energy: -125.999
Base-Backbone interact. energy: 1.467
local terms energy: -112.428090
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -369.471791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.471791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.471791 (E_RNA)
where:
Base-Base interactions energy: -238.150
where: short stacking energy: -120.823
Base-Backbone interact. energy: -1.142
local terms energy: -130.180339
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -337.701651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.701651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.701651 (E_RNA)
where:
Base-Base interactions energy: -221.031
where: short stacking energy: -110.978
Base-Backbone interact. energy: -1.865
local terms energy: -114.805393
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -313.201722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.201722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.201722 (E_RNA)
where:
Base-Base interactions energy: -197.717
where: short stacking energy: -118.670
Base-Backbone interact. energy: -0.211
local terms energy: -115.273692
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -28.890
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: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -270.634568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.634568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.634568 (E_RNA)
where:
Base-Base interactions energy: -181.568
where: short stacking energy: -94.723
Base-Backbone interact. energy: -0.804
local terms energy: -88.263095
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -214.925655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.925655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.925655 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -80.203
Base-Backbone interact. energy: -0.169
local terms energy: -88.014630
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -14.329
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: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -243.091478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.091478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.091478 (E_RNA)
where:
Base-Base interactions energy: -161.517
where: short stacking energy: -80.659
Base-Backbone interact. energy: 0.424
local terms energy: -81.998063
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -13.792
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: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -215.871853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871853 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.196
local terms energy: -98.054432
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -137.646382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.646382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.646382 (E_RNA)
where:
Base-Base interactions energy: -60.623
where: short stacking energy: -59.106
Base-Backbone interact. energy: -0.188
local terms energy: -76.835957
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -182.729378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.729378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.729378 (E_RNA)
where:
Base-Base interactions energy: -108.568
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.044
local terms energy: -74.117339
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -414.252237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.252237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.252237 (E_RNA)
where:
Base-Base interactions energy: -287.619
where: short stacking energy: -131.906
Base-Backbone interact. energy: -1.369
local terms energy: -125.264510
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -332.438524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.438524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.438524 (E_RNA)
where:
Base-Base interactions energy: -233.588
where: short stacking energy: -117.900
Base-Backbone interact. energy: -0.219
local terms energy: -98.631304
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -21.030
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: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -339.601058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.601058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.601058 (E_RNA)
where:
Base-Base interactions energy: -225.416
where: short stacking energy: -109.774
Base-Backbone interact. energy: -0.327
local terms energy: -113.858520
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -300.619720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.619720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.619720 (E_RNA)
where:
Base-Base interactions energy: -202.304
where: short stacking energy: -103.198
Base-Backbone interact. energy: -0.211
local terms energy: -98.105219
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -24.959
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: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -248.384333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.384333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.384333 (E_RNA)
where:
Base-Base interactions energy: -141.112
where: short stacking energy: -91.044
Base-Backbone interact. energy: -0.065
local terms energy: -107.207939
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -294.690074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.690074 (E_RNA)
where:
Base-Base interactions energy: -195.839
where: short stacking energy: -100.136
Base-Backbone interact. energy: -0.084
local terms energy: -98.766732
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -25.845
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -219.562030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.562030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.562030 (E_RNA)
where:
Base-Base interactions energy: -129.662
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.519
local terms energy: -89.381161
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -15.589
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: 462
Temperature: 1.250000
Total energy: -259.432727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.432727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.432727 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -83.285
Base-Backbone interact. energy: -0.175
local terms energy: -109.751341
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -174.497070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.497070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.497070 (E_RNA)
where:
Base-Base interactions energy: -86.976
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.421
local terms energy: -87.099214
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -158.909416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.909416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.909416 (E_RNA)
where:
Base-Base interactions energy: -85.521
where: short stacking energy: -56.646
Base-Backbone interact. energy: 1.761
local terms energy: -75.149726
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -406.033646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.033646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.033646 (E_RNA)
where:
Base-Base interactions energy: -280.940
where: short stacking energy: -138.932
Base-Backbone interact. energy: -2.533
local terms energy: -122.560702
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -33.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -349.434657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.434657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.434657 (E_RNA)
where:
Base-Base interactions energy: -226.257
where: short stacking energy: -119.374
Base-Backbone interact. energy: -0.214
local terms energy: -122.963916
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -335.468153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.468153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.468153 (E_RNA)
where:
Base-Base interactions energy: -229.081
where: short stacking energy: -115.286
Base-Backbone interact. energy: -0.137
local terms energy: -106.250324
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -316.281663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.281663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.281663 (E_RNA)
where:
Base-Base interactions energy: -211.672
where: short stacking energy: -100.645
Base-Backbone interact. energy: -0.948
local terms energy: -103.661703
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -253.760135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.760135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.760135 (E_RNA)
where:
Base-Base interactions energy: -152.755
where: short stacking energy: -95.488
Base-Backbone interact. energy: -0.100
local terms energy: -100.904854
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -28.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -313.683380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.683380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.683380 (E_RNA)
where:
Base-Base interactions energy: -205.596
where: short stacking energy: -107.877
Base-Backbone interact. energy: -0.083
local terms energy: -108.003903
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -25.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -250.371284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.371284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.371284 (E_RNA)
where:
Base-Base interactions energy: -166.235
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.420
local terms energy: -83.715747
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -20.653
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -272.773989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.773989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.773989 (E_RNA)
where:
Base-Base interactions energy: -174.200
where: short stacking energy: -87.005
Base-Backbone interact. energy: -0.941
local terms energy: -97.633188
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -144.519215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.519215 (E_RNA)
where:
Base-Base interactions energy: -65.531
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.061
local terms energy: -78.926734
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -4.819
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: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -132.500962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.500962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.500962 (E_RNA)
where:
Base-Base interactions energy: -62.027
where: short stacking energy: -52.697
Base-Backbone interact. energy: 1.034
local terms energy: -71.508002
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: 0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -405.678240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.678240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.678240 (E_RNA)
where:
Base-Base interactions energy: -282.061
where: short stacking energy: -135.302
Base-Backbone interact. energy: -2.919
local terms energy: -120.698388
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -30.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -340.005801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.005801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.005801 (E_RNA)
where:
Base-Base interactions energy: -225.043
where: short stacking energy: -118.333
Base-Backbone interact. energy: -0.181
local terms energy: -114.781253
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -337.908545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.908545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.908545 (E_RNA)
where:
Base-Base interactions energy: -225.049
where: short stacking energy: -122.049
Base-Backbone interact. energy: 0.198
local terms energy: -113.057974
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -336.662257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.662257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.662257 (E_RNA)
where:
Base-Base interactions energy: -225.043
where: short stacking energy: -109.794
Base-Backbone interact. energy: -1.230
local terms energy: -110.388935
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -309.903379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.903379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.903379 (E_RNA)
where:
Base-Base interactions energy: -209.682
where: short stacking energy: -101.293
Base-Backbone interact. energy: -0.090
local terms energy: -100.131463
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -23.699
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -226.964224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.964224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.964224 (E_RNA)
where:
Base-Base interactions energy: -145.449
where: short stacking energy: -82.409
Base-Backbone interact. energy: -0.881
local terms energy: -80.633759
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -294.831225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.831225 (E_RNA)
where:
Base-Base interactions energy: -186.492
where: short stacking energy: -103.423
Base-Backbone interact. energy: -0.113
local terms energy: -108.226421
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -242.952862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.952862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.952862 (E_RNA)
where:
Base-Base interactions energy: -153.014
where: short stacking energy: -86.316
Base-Backbone interact. energy: -0.341
local terms energy: -89.597679
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -125.038706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.038706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.038706 (E_RNA)
where:
Base-Base interactions energy: -56.055
where: short stacking energy: -37.587
Base-Backbone interact. energy: 2.110
local terms energy: -71.093828
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -119.809760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.809760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.809760 (E_RNA)
where:
Base-Base interactions energy: -41.811
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.209
local terms energy: -77.789832
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -403.063872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.063872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.063872 (E_RNA)
where:
Base-Base interactions energy: -272.390
where: short stacking energy: -127.926
Base-Backbone interact. energy: -1.206
local terms energy: -129.467505
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -345.128849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.128849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.128849 (E_RNA)
where:
Base-Base interactions energy: -223.720
where: short stacking energy: -116.268
Base-Backbone interact. energy: -0.757
local terms energy: -120.651666
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -331.839061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.839061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.839061 (E_RNA)
where:
Base-Base interactions energy: -215.276
where: short stacking energy: -113.390
Base-Backbone interact. energy: -0.158
local terms energy: -116.405476
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -27.530
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: 465
Temperature: 1.050000
Total energy: -318.841962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.841962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.841962 (E_RNA)
where:
Base-Base interactions energy: -209.534
where: short stacking energy: -111.150
Base-Backbone interact. energy: -0.010
local terms energy: -109.298055
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -26.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -317.255189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.255189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.255189 (E_RNA)
where:
Base-Base interactions energy: -207.258
where: short stacking energy: -95.817
Base-Backbone interact. energy: -0.056
local terms energy: -109.940658
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -26.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -315.312471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.312471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.312471 (E_RNA)
where:
Base-Base interactions energy: -211.030
where: short stacking energy: -112.621
Base-Backbone interact. energy: 1.026
local terms energy: -105.309260
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -26.119
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: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -238.288750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.288750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.288750 (E_RNA)
where:
Base-Base interactions energy: -138.792
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.346
local terms energy: -99.150682
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -234.804034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.804034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.804034 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.178
local terms energy: -89.423444
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -149.975944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.975944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.975944 (E_RNA)
where:
Base-Base interactions energy: -80.181
where: short stacking energy: -58.907
Base-Backbone interact. energy: 1.188
local terms energy: -70.982934
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -128.908856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.908856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.908856 (E_RNA)
where:
Base-Base interactions energy: -64.198
where: short stacking energy: -48.038
Base-Backbone interact. energy: -0.147
local terms energy: -64.564131
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -411.755388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.755388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.755388 (E_RNA)
where:
Base-Base interactions energy: -282.397
where: short stacking energy: -136.892
Base-Backbone interact. energy: -2.004
local terms energy: -127.354723
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -353.356663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.356663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.356663 (E_RNA)
where:
Base-Base interactions energy: -232.263
where: short stacking energy: -129.723
Base-Backbone interact. energy: -0.397
local terms energy: -120.696054
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -348.628588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.628588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.628588 (E_RNA)
where:
Base-Base interactions energy: -228.669
where: short stacking energy: -128.749
Base-Backbone interact. energy: -0.077
local terms energy: -119.882831
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -30.626
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: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -297.768477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.768477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.768477 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -94.898
Base-Backbone interact. energy: 0.380
local terms energy: -107.442390
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -346.131845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.131845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.131845 (E_RNA)
where:
Base-Base interactions energy: -224.327
where: short stacking energy: -117.085
Base-Backbone interact. energy: -0.145
local terms energy: -121.660418
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -32.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -290.452377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.452377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.452377 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -107.738
Base-Backbone interact. energy: -0.469
local terms energy: -90.828140
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -25.076
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: 466
Temperature: 1.200000
Total energy: -242.880011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.880011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.880011 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.280
local terms energy: -87.653478
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -16.626
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: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -218.408233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.408233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.408233 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -82.168
Base-Backbone interact. energy: -0.040
local terms energy: -84.909062
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -15.016
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: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -165.258301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.258301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.258301 (E_RNA)
where:
Base-Base interactions energy: -92.842
where: short stacking energy: -42.143
Base-Backbone interact. energy: -0.174
local terms energy: -72.241632
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -125.692929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.692929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.692929 (E_RNA)
where:
Base-Base interactions energy: -52.105
where: short stacking energy: -48.513
Base-Backbone interact. energy: 0.779
local terms energy: -74.366905
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -409.333195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.333195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.333195 (E_RNA)
where:
Base-Base interactions energy: -277.621
where: short stacking energy: -127.768
Base-Backbone interact. energy: -2.563
local terms energy: -129.149026
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -344.954542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.954542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.954542 (E_RNA)
where:
Base-Base interactions energy: -223.104
where: short stacking energy: -123.202
Base-Backbone interact. energy: -1.209
local terms energy: -120.642188
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -28.055
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: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -338.283826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.283826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.283826 (E_RNA)
where:
Base-Base interactions energy: -230.924
where: short stacking energy: -121.661
Base-Backbone interact. energy: -0.090
local terms energy: -107.270251
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -25.721
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -348.564289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.564289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.564289 (E_RNA)
where:
Base-Base interactions energy: -232.689
where: short stacking energy: -126.319
Base-Backbone interact. energy: -1.255
local terms energy: -114.620114
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -323.956691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.956691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.956691 (E_RNA)
where:
Base-Base interactions energy: -211.435
where: short stacking energy: -111.983
Base-Backbone interact. energy: 0.143
local terms energy: -112.664265
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -31.628
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -288.271387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.271387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.271387 (E_RNA)
where:
Base-Base interactions energy: -195.129
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.496
local terms energy: -92.646124
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -238.727758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727758 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.471
local terms energy: -93.700583
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -202.726360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.726360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.726360 (E_RNA)
where:
Base-Base interactions energy: -124.872
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.447
local terms energy: -77.407356
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -123.223782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.223782 (E_RNA)
where:
Base-Base interactions energy: -63.095
where: short stacking energy: -57.334
Base-Backbone interact. energy: 1.782
local terms energy: -61.910725
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -148.220420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.220420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.220420 (E_RNA)
where:
Base-Base interactions energy: -65.658
where: short stacking energy: -40.461
Base-Backbone interact. energy: -1.277
local terms energy: -81.285756
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -6.846
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: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -335.335461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.335461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.335461 (E_RNA)
where:
Base-Base interactions energy: -220.918
where: short stacking energy: -114.293
Base-Backbone interact. energy: 0.258
local terms energy: -114.676065
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -29.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -397.647723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.647723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.647723 (E_RNA)
where:
Base-Base interactions energy: -272.646
where: short stacking energy: -129.962
Base-Backbone interact. energy: -2.527
local terms energy: -122.474925
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -33.827
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: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -367.852807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.852807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.852807 (E_RNA)
where:
Base-Base interactions energy: -242.365
where: short stacking energy: -127.319
Base-Backbone interact. energy: -0.737
local terms energy: -124.750500
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -36.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -322.046653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.046653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.046653 (E_RNA)
where:
Base-Base interactions energy: -213.642
where: short stacking energy: -115.779
Base-Backbone interact. energy: -0.479
local terms energy: -107.925253
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -25.474
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: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -311.373365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.373365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.373365 (E_RNA)
where:
Base-Base interactions energy: -194.653
where: short stacking energy: -108.893
Base-Backbone interact. energy: -0.042
local terms energy: -116.678161
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -29.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -309.399116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.399116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.399116 (E_RNA)
where:
Base-Base interactions energy: -200.547
where: short stacking energy: -99.769
Base-Backbone interact. energy: -0.005
local terms energy: -108.847263
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -26.902
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: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -234.807288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.807288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.807288 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.083
local terms energy: -83.783526
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -198.000296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.000296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000296 (E_RNA)
where:
Base-Base interactions energy: -101.796
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.588
local terms energy: -95.615650
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -166.220895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.220895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.220895 (E_RNA)
where:
Base-Base interactions energy: -92.720
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.709
local terms energy: -72.791892
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -1.782
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -154.647885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.647885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.647885 (E_RNA)
where:
Base-Base interactions energy: -82.091
where: short stacking energy: -44.399
Base-Backbone interact. energy: 4.349
local terms energy: -76.906044
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -24.488
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -358.457307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.457307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.457307 (E_RNA)
where:
Base-Base interactions energy: -246.923
where: short stacking energy: -111.656
Base-Backbone interact. energy: -0.728
local terms energy: -110.806673
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -401.847910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.847910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.847910 (E_RNA)
where:
Base-Base interactions energy: -275.925
where: short stacking energy: -131.929
Base-Backbone interact. energy: -2.779
local terms energy: -123.143235
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -32.091
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: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -370.704231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.704231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.704231 (E_RNA)
where:
Base-Base interactions energy: -252.915
where: short stacking energy: -123.792
Base-Backbone interact. energy: -0.552
local terms energy: -117.237281
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -33.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -308.751082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.751082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.751082 (E_RNA)
where:
Base-Base interactions energy: -198.324
where: short stacking energy: -104.148
Base-Backbone interact. energy: -0.149
local terms energy: -110.278940
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -21.293
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: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -311.442977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.442977 (E_RNA)
where:
Base-Base interactions energy: -217.058
where: short stacking energy: -118.125
Base-Backbone interact. energy: -1.214
local terms energy: -93.171090
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -24.347
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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -311.139739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.139739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.139739 (E_RNA)
where:
Base-Base interactions energy: -213.911
where: short stacking energy: -108.119
Base-Backbone interact. energy: -0.617
local terms energy: -96.611611
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -225.236018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.236018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236018 (E_RNA)
where:
Base-Base interactions energy: -134.867
where: short stacking energy: -79.960
Base-Backbone interact. energy: -0.448
local terms energy: -89.920431
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -165.363010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.363010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.363010 (E_RNA)
where:
Base-Base interactions energy: -89.229
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.706
local terms energy: -75.428216
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -3.149
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: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -188.500815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.500815 (E_RNA)
where:
Base-Base interactions energy: -112.238
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.332
local terms energy: -75.930748
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -9.794
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: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -115.426639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.426639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.426639 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.862
local terms energy: -77.859947
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -4.133
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -400.060953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.060953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.060953 (E_RNA)
where:
Base-Base interactions energy: -279.367
where: short stacking energy: -130.466
Base-Backbone interact. energy: -0.469
local terms energy: -120.224365
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -29.633
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: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -354.688666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.688666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.688666 (E_RNA)
where:
Base-Base interactions energy: -235.749
where: short stacking energy: -129.218
Base-Backbone interact. energy: -0.465
local terms energy: -118.474415
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -32.300
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: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -363.403534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.403534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.403534 (E_RNA)
where:
Base-Base interactions energy: -250.179
where: short stacking energy: -128.352
Base-Backbone interact. energy: -0.800
local terms energy: -112.424926
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -305.060357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.060357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.060357 (E_RNA)
where:
Base-Base interactions energy: -192.565
where: short stacking energy: -101.611
Base-Backbone interact. energy: -1.138
local terms energy: -111.357595
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -299.747862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.747862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.747862 (E_RNA)
where:
Base-Base interactions energy: -195.834
where: short stacking energy: -95.753
Base-Backbone interact. energy: -0.363
local terms energy: -103.551445
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -296.989270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.989270 (E_RNA)
where:
Base-Base interactions energy: -198.012
where: short stacking energy: -106.405
Base-Backbone interact. energy: -0.228
local terms energy: -98.749142
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -239.329351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.329351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.329351 (E_RNA)
where:
Base-Base interactions energy: -142.561
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.468
local terms energy: -96.299979
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -132.396021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.396021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.396021 (E_RNA)
where:
Base-Base interactions energy: -55.111
where: short stacking energy: -55.111
Base-Backbone interact. energy: -0.467
local terms energy: -76.817748
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -211.553453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.553453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.553453 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.251
local terms energy: -85.861397
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -131.035937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.035937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.035937 (E_RNA)
where:
Base-Base interactions energy: -49.779
where: short stacking energy: -46.891
Base-Backbone interact. energy: -1.556
local terms energy: -79.700832
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -406.782049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.782049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.782049 (E_RNA)
where:
Base-Base interactions energy: -288.803
where: short stacking energy: -125.172
Base-Backbone interact. energy: -1.139
local terms energy: -116.840432
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -379.276142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.276142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.276142 (E_RNA)
where:
Base-Base interactions energy: -258.911
where: short stacking energy: -136.493
Base-Backbone interact. energy: -0.003
local terms energy: -120.361930
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -317.613884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.613884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.613884 (E_RNA)
where:
Base-Base interactions energy: -214.351
where: short stacking energy: -110.456
Base-Backbone interact. energy: 0.807
local terms energy: -104.070494
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -24.318
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: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -347.344049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.344049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.344049 (E_RNA)
where:
Base-Base interactions energy: -226.892
where: short stacking energy: -125.046
Base-Backbone interact. energy: 0.463
local terms energy: -120.914324
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -33.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -304.002040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.002040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.002040 (E_RNA)
where:
Base-Base interactions energy: -200.766
where: short stacking energy: -99.681
Base-Backbone interact. energy: 0.093
local terms energy: -103.328882
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -21.022
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: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -303.898181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.898181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.898181 (E_RNA)
where:
Base-Base interactions energy: -206.202
where: short stacking energy: -104.324
Base-Backbone interact. energy: -0.815
local terms energy: -96.881458
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -24.529
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -239.742030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.742030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.742030 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -83.297
Base-Backbone interact. energy: -0.042
local terms energy: -95.847643
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -243.519276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.519276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.519276 (E_RNA)
where:
Base-Base interactions energy: -158.786
where: short stacking energy: -75.726
Base-Backbone interact. energy: -0.806
local terms energy: -83.927242
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -11.939
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: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -131.467808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.467808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.467808 (E_RNA)
where:
Base-Base interactions energy: -48.887
where: short stacking energy: -41.843
Base-Backbone interact. energy: -1.589
local terms energy: -80.992602
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -5.457
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: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -120.995181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.995181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.995181 (E_RNA)
where:
Base-Base interactions energy: -60.217
where: short stacking energy: -52.853
Base-Backbone interact. energy: -0.320
local terms energy: -60.458503
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -3.349
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)