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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-30fdef54/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-30fdef54/inputs/seq.fa: 1
curr_seq: _AGUGAUUGGCAUUACCAGCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGUGAUUGGCAUUACCAGCAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.165156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165156 (E_RNA)
where:
Base-Base interactions energy: 0.017
where: short stacking energy: 0.017
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -137.940937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.940937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.940937 (E_RNA)
where:
Base-Base interactions energy: -65.109
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.095
local terms energy: -72.737760
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -118.306199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.306199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.306199 (E_RNA)
where:
Base-Base interactions energy: -54.023
where: short stacking energy: -41.242
Base-Backbone interact. energy: -0.125
local terms energy: -64.158416
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -8.223
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -117.492779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.492779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.492779 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -47.245
Base-Backbone interact. energy: -0.001
local terms energy: -69.695892
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -106.337519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.337519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.337519 (E_RNA)
where:
Base-Base interactions energy: -45.490
where: short stacking energy: -45.490
Base-Backbone interact. energy: -0.000
local terms energy: -60.846832
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -156.234862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.234862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.234862 (E_RNA)
where:
Base-Base interactions energy: -96.297
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.161
local terms energy: -59.776529
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -105.873960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873960 (E_RNA)
where:
Base-Base interactions energy: -51.363
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.147
local terms energy: -54.363373
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -80.266099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.266099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.266099 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -25.507
Base-Backbone interact. energy: -0.400
local terms energy: -48.385589
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: 1.565
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -82.282065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.282065 (E_RNA)
where:
Base-Base interactions energy: -28.090
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.474
local terms energy: -53.718156
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -79.443391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.443391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.443391 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.057
local terms energy: -46.661330
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.285347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285347 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -28.468
Base-Backbone interact. energy: 0.093
local terms energy: -47.877966
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -151.599232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.599232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.599232 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -55.365
Base-Backbone interact. energy: 0.310
local terms energy: -68.263327
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -138.767650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.767650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.767650 (E_RNA)
where:
Base-Base interactions energy: -75.603
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.158
local terms energy: -63.005978
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -10.787
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -118.109461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.109461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.109461 (E_RNA)
where:
Base-Base interactions energy: -46.825
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.003
local terms energy: -71.281440
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -183.626567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.626567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.626567 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.097
local terms energy: -59.758731
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.426
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -106.873888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.873888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.873888 (E_RNA)
where:
Base-Base interactions energy: -55.379
where: short stacking energy: -36.076
Base-Backbone interact. energy: -0.062
local terms energy: -51.432298
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -121.291183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.291183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.291183 (E_RNA)
where:
Base-Base interactions energy: -70.042
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.107
local terms energy: -51.141714
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -118.174508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.174508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.174508 (E_RNA)
where:
Base-Base interactions energy: -72.749
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.471
local terms energy: -44.955191
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -8.595
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -94.265551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265551 (E_RNA)
where:
Base-Base interactions energy: -54.909
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.306
local terms energy: -39.050742
where:
bonds (distance) C4'-P energy: -5.462
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: 1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -84.006648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006648 (E_RNA)
where:
Base-Base interactions energy: -33.834
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.346
local terms energy: -49.825979
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.850612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.850612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.850612 (E_RNA)
where:
Base-Base interactions energy: -23.566
where: short stacking energy: -15.871
Base-Backbone interact. energy: -0.111
local terms energy: -51.174409
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -167.223966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.223966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.223966 (E_RNA)
where:
Base-Base interactions energy: -98.734
where: short stacking energy: -49.886
Base-Backbone interact. energy: -1.297
local terms energy: -67.192340
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -13.323
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -163.294964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.294964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.294964 (E_RNA)
where:
Base-Base interactions energy: -99.477
where: short stacking energy: -50.584
Base-Backbone interact. energy: 0.478
local terms energy: -64.295950
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -203.043378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.043378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.043378 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -57.571
Base-Backbone interact. energy: -1.226
local terms energy: -75.656491
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -127.065103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.065103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.065103 (E_RNA)
where:
Base-Base interactions energy: -63.167
where: short stacking energy: -35.293
Base-Backbone interact. energy: -0.105
local terms energy: -63.793260
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -153.408577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.408577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.408577 (E_RNA)
where:
Base-Base interactions energy: -96.101
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.181
local terms energy: -57.126975
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -122.145890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.145890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.145890 (E_RNA)
where:
Base-Base interactions energy: -61.855
where: short stacking energy: -43.837
Base-Backbone interact. energy: 3.596
local terms energy: -63.886215
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -90.290364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290364 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.001
local terms energy: -51.053922
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -131.879730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.879730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.879730 (E_RNA)
where:
Base-Base interactions energy: -80.764
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.174
local terms energy: -50.942370
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -94.202499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.202499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.202499 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.010
local terms energy: -62.415317
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -92.570731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570731 (E_RNA)
where:
Base-Base interactions energy: -33.382
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.135
local terms energy: -59.054331
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -166.893925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.893925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.893925 (E_RNA)
where:
Base-Base interactions energy: -97.777
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.038
local terms energy: -69.079161
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -202.395252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.395252 (E_RNA)
where:
Base-Base interactions energy: -129.340
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.511
local terms energy: -72.544181
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -18.830
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -189.750340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.750340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.750340 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.624
local terms energy: -65.682424
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -189.286041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.286041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.286041 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.016
local terms energy: -66.886360
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -14.769
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -109.722733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.722733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.722733 (E_RNA)
where:
Base-Base interactions energy: -59.130
where: short stacking energy: -46.312
Base-Backbone interact. energy: -0.010
local terms energy: -50.582180
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -134.525441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.525441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.525441 (E_RNA)
where:
Base-Base interactions energy: -71.638
where: short stacking energy: -44.043
Base-Backbone interact. energy: 0.281
local terms energy: -63.168409
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -82.056139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.056139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.056139 (E_RNA)
where:
Base-Base interactions energy: -31.520
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.132
local terms energy: -50.403816
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -4.620
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: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -94.084220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084220 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.469
local terms energy: -55.609374
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -78.076361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076361 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -20.959
Base-Backbone interact. energy: -0.149
local terms energy: -52.745303
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -149.113601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.113601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.113601 (E_RNA)
where:
Base-Base interactions energy: -100.261
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.124
local terms energy: -48.729389
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -219.971181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.971181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.971181 (E_RNA)
where:
Base-Base interactions energy: -147.089
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.043
local terms energy: -72.839088
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -166.095763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.095763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.095763 (E_RNA)
where:
Base-Base interactions energy: -92.425
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.085
local terms energy: -73.585739
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -14.531
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: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -193.490522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.490522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.490522 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.027
local terms energy: -67.515012
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -16.224
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -203.200767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.200767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.200767 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -58.836
Base-Backbone interact. energy: 0.439
local terms energy: -75.154279
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -119.588230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.588230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.588230 (E_RNA)
where:
Base-Base interactions energy: -61.870
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.254
local terms energy: -57.463769
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -110.131883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.131883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.131883 (E_RNA)
where:
Base-Base interactions energy: -64.412
where: short stacking energy: -33.511
Base-Backbone interact. energy: -1.374
local terms energy: -44.345314
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -2.489
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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -145.158373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.158373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.158373 (E_RNA)
where:
Base-Base interactions energy: -92.883
where: short stacking energy: -41.651
Base-Backbone interact. energy: 0.753
local terms energy: -53.028718
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -79.763758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.763758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.763758 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -22.243
Base-Backbone interact. energy: 0.091
local terms energy: -47.296415
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -79.979481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979481 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.098
local terms energy: -48.563593
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -85.175358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.175358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.175358 (E_RNA)
where:
Base-Base interactions energy: -44.957
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.384
local terms energy: -39.834486
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -9.786
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -226.386540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.386540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.386540 (E_RNA)
where:
Base-Base interactions energy: -150.363
where: short stacking energy: -68.328
Base-Backbone interact. energy: -1.103
local terms energy: -74.920339
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -198.093813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093813 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.658
local terms energy: -74.393262
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -148.578259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.578259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.578259 (E_RNA)
where:
Base-Base interactions energy: -88.073
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.203
local terms energy: -60.301735
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -8.484
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: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -169.934068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.934068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.934068 (E_RNA)
where:
Base-Base interactions energy: -118.295
where: short stacking energy: -51.001
Base-Backbone interact. energy: -0.564
local terms energy: -51.075356
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -8.188
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: 7
Temperature: 1.100000
Total energy: -125.736305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.736305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.736305 (E_RNA)
where:
Base-Base interactions energy: -59.052
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.491
local terms energy: -66.193152
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -160.196718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.196718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.196718 (E_RNA)
where:
Base-Base interactions energy: -95.824
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.221
local terms energy: -64.151163
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -13.500
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: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -98.819576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.819576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.819576 (E_RNA)
where:
Base-Base interactions energy: -57.396
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.340
local terms energy: -41.083479
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: 1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.428646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.428646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.428646 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.227
local terms energy: -52.216467
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -87.635567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.635567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.635567 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.097
local terms energy: -55.649311
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -81.146330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.146330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.146330 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -13.970
Base-Backbone interact. energy: -0.780
local terms energy: -51.235707
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -204.186390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.186390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.186390 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.588
local terms energy: -74.086495
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -225.528431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.528431 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.042
local terms energy: -70.660842
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -21.888
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: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -168.719873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.719873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.719873 (E_RNA)
where:
Base-Base interactions energy: -99.350
where: short stacking energy: -43.016
Base-Backbone interact. energy: 0.346
local terms energy: -69.715804
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -126.419690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.419690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.419690 (E_RNA)
where:
Base-Base interactions energy: -73.681
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.456
local terms energy: -52.282571
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -171.098414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.098414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.098414 (E_RNA)
where:
Base-Base interactions energy: -106.984
where: short stacking energy: -49.140
Base-Backbone interact. energy: -0.113
local terms energy: -64.001630
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.547
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: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -112.855950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.855950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.855950 (E_RNA)
where:
Base-Base interactions energy: -60.671
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.183
local terms energy: -52.001305
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -97.497224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497224 (E_RNA)
where:
Base-Base interactions energy: -46.608
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.123
local terms energy: -50.766081
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -145.380672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.380672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.380672 (E_RNA)
where:
Base-Base interactions energy: -84.958
where: short stacking energy: -38.981
Base-Backbone interact. energy: -0.973
local terms energy: -59.449778
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -72.943996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.943996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.943996 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -21.900
Base-Backbone interact. energy: 2.502
local terms energy: -40.444959
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -7.951
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -75.792915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.792915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.792915 (E_RNA)
where:
Base-Base interactions energy: -31.731
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.153
local terms energy: -43.908472
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.722
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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -201.101707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101707 (E_RNA)
where:
Base-Base interactions energy: -126.516
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.361
local terms energy: -74.225006
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -212.199058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.199058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.199058 (E_RNA)
where:
Base-Base interactions energy: -133.617
where: short stacking energy: -57.740
Base-Backbone interact. energy: -1.051
local terms energy: -77.531345
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -20.205
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: 9
Temperature: 1.000000
Total energy: -188.086150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.086150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.086150 (E_RNA)
where:
Base-Base interactions energy: -113.592
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.032
local terms energy: -74.461713
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.053
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: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -196.532455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.532455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.532455 (E_RNA)
where:
Base-Base interactions energy: -123.298
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.003
local terms energy: -73.231530
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -14.211
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -152.451061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.451061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.451061 (E_RNA)
where:
Base-Base interactions energy: -92.806
where: short stacking energy: -41.368
Base-Backbone interact. energy: 0.328
local terms energy: -59.973622
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -92.181775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.181775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.181775 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.214
local terms energy: -54.219529
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -5.136
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: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -84.460624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460624 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.263
local terms energy: -46.940515
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -155.007365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.007365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.007365 (E_RNA)
where:
Base-Base interactions energy: -95.511
where: short stacking energy: -44.969
Base-Backbone interact. energy: -0.322
local terms energy: -59.174592
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -78.950954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950954 (E_RNA)
where:
Base-Base interactions energy: -32.585
where: short stacking energy: -27.502
Base-Backbone interact. energy: -0.363
local terms energy: -46.003691
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -3.854
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -81.874317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.874317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.874317 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -14.199
Base-Backbone interact. energy: -0.652
local terms energy: -46.606019
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: 2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -202.402959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402959 (E_RNA)
where:
Base-Base interactions energy: -125.812
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.032
local terms energy: -76.558342
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -200.119737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.119737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119737 (E_RNA)
where:
Base-Base interactions energy: -126.164
where: short stacking energy: -67.440
Base-Backbone interact. energy: -0.232
local terms energy: -73.723300
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -196.213877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.213877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.213877 (E_RNA)
where:
Base-Base interactions energy: -129.336
where: short stacking energy: -50.169
Base-Backbone interact. energy: -0.163
local terms energy: -66.714255
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -178.822451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.822451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.822451 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -49.808
Base-Backbone interact. energy: 0.293
local terms energy: -68.323500
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -13.469
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: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -145.538276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.538276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.538276 (E_RNA)
where:
Base-Base interactions energy: -82.471
where: short stacking energy: -50.581
Base-Backbone interact. energy: -0.859
local terms energy: -62.208169
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -8.631
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -91.664390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.664390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.664390 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -39.147
Base-Backbone interact. energy: -0.048
local terms energy: -52.468897
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -168.730695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.730695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.730695 (E_RNA)
where:
Base-Base interactions energy: -107.041
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.098
local terms energy: -61.591671
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.209
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -90.759379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759379 (E_RNA)
where:
Base-Base interactions energy: -40.420
where: short stacking energy: -40.420
Base-Backbone interact. energy: -0.108
local terms energy: -50.231780
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -5.209
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -84.244037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.244037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.244037 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -29.599
Base-Backbone interact. energy: 1.050
local terms energy: -50.769102
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -69.044501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.044501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.044501 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.276
local terms energy: -51.986131
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.998
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -199.791342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.791342 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.382
local terms energy: -71.083789
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -15.240
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: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -198.236920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.236920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.236920 (E_RNA)
where:
Base-Base interactions energy: -125.060
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.729
local terms energy: -72.448156
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -197.078617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.078617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.078617 (E_RNA)
where:
Base-Base interactions energy: -130.881
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.637
local terms energy: -65.560791
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -8.326
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.249
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: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -186.144789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.144789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.144789 (E_RNA)
where:
Base-Base interactions energy: -113.450
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.020
local terms energy: -72.675264
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -14.306
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: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -159.041400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.041400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.041400 (E_RNA)
where:
Base-Base interactions energy: -99.100
where: short stacking energy: -50.522
Base-Backbone interact. energy: -0.164
local terms energy: -59.778029
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -148.279041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.279041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.279041 (E_RNA)
where:
Base-Base interactions energy: -94.980
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.284
local terms energy: -53.014998
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -5.766
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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -135.334044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.334044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.334044 (E_RNA)
where:
Base-Base interactions energy: -76.749
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.052
local terms energy: -58.533121
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -85.270353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.270353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.270353 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -27.973
Base-Backbone interact. energy: -0.531
local terms energy: -55.272078
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.804040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.804040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.804040 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -34.439
Base-Backbone interact. energy: -0.064
local terms energy: -47.204141
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -2.739
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: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -81.753026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.753026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.753026 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.132
local terms energy: -51.280774
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -207.643835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.643835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.643835 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.641
local terms energy: -76.263345
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -198.164861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.164861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.164861 (E_RNA)
where:
Base-Base interactions energy: -122.243
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.020
local terms energy: -75.901771
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -211.248428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248428 (E_RNA)
where:
Base-Base interactions energy: -140.005
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.343
local terms energy: -70.900766
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -18.672
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: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -176.655195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.655195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.655195 (E_RNA)
where:
Base-Base interactions energy: -114.888
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.120
local terms energy: -61.646808
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -149.487897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.487897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.487897 (E_RNA)
where:
Base-Base interactions energy: -90.694
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.764
local terms energy: -58.029213
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -138.941393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.941393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.941393 (E_RNA)
where:
Base-Base interactions energy: -80.940
where: short stacking energy: -39.659
Base-Backbone interact. energy: -0.034
local terms energy: -57.966905
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -155.375864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.375864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.375864 (E_RNA)
where:
Base-Base interactions energy: -100.530
where: short stacking energy: -53.207
Base-Backbone interact. energy: 1.445
local terms energy: -56.290580
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -8.012
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -76.404602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.404602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.404602 (E_RNA)
where:
Base-Base interactions energy: -23.707
where: short stacking energy: -23.707
Base-Backbone interact. energy: 1.501
local terms energy: -54.198705
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -75.711740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.711740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.711740 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -26.065
Base-Backbone interact. energy: -0.323
local terms energy: -46.413161
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -1.472
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: 12
Temperature: 1.350000
Total energy: -85.835371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835371 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.672
local terms energy: -43.973020
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -0.722
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -217.070869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.070869 (E_RNA)
where:
Base-Base interactions energy: -139.540
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.066
local terms energy: -77.464207
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -21.426
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: 13
Temperature: 0.950000
Total energy: -201.119778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.119778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.119778 (E_RNA)
where:
Base-Base interactions energy: -132.701
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.309
local terms energy: -68.109535
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -213.132397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.132397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.132397 (E_RNA)
where:
Base-Base interactions energy: -134.322
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.026
local terms energy: -78.783684
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -21.631
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: 13
Temperature: 1.050000
Total energy: -184.621451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.621451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621451 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.779
local terms energy: -67.651700
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -13.205
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: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -185.924506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.924506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.924506 (E_RNA)
where:
Base-Base interactions energy: -119.232
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.078
local terms energy: -66.614734
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -16.803
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -153.374562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.374562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.374562 (E_RNA)
where:
Base-Base interactions energy: -94.712
where: short stacking energy: -49.614
Base-Backbone interact. energy: -0.019
local terms energy: -58.644027
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -128.962868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.962868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.962868 (E_RNA)
where:
Base-Base interactions energy: -70.348
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.070
local terms energy: -58.545259
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -91.861769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.861769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.861769 (E_RNA)
where:
Base-Base interactions energy: -32.133
where: short stacking energy: -32.133
Base-Backbone interact. energy: -0.104
local terms energy: -59.625151
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.603177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603177 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.150
local terms energy: -47.960715
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -84.481691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481691 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.195
local terms energy: -45.114096
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -208.053842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.053842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.053842 (E_RNA)
where:
Base-Base interactions energy: -131.793
where: short stacking energy: -71.869
Base-Backbone interact. energy: -0.506
local terms energy: -75.755012
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -208.811494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.811494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.811494 (E_RNA)
where:
Base-Base interactions energy: -133.070
where: short stacking energy: -68.976
Base-Backbone interact. energy: -0.665
local terms energy: -75.076448
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -21.072
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -210.373780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.373780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.373780 (E_RNA)
where:
Base-Base interactions energy: -136.833
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.701
local terms energy: -72.839998
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -194.195097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195097 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.008
local terms energy: -64.648477
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -15.912
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: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -153.455168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.455168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.455168 (E_RNA)
where:
Base-Base interactions energy: -95.380
where: short stacking energy: -50.211
Base-Backbone interact. energy: -0.242
local terms energy: -57.833691
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -183.811472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.811472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.811472 (E_RNA)
where:
Base-Base interactions energy: -124.153
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.296
local terms energy: -59.362864
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -12.479
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: 14
Temperature: 1.200000
Total energy: -88.235168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235168 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -18.288
Base-Backbone interact. energy: -0.358
local terms energy: -50.722774
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -91.253341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.253341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.253341 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.115
local terms energy: -56.648242
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -108.840968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.840968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.840968 (E_RNA)
where:
Base-Base interactions energy: -52.170
where: short stacking energy: -38.275
Base-Backbone interact. energy: 1.290
local terms energy: -57.960672
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -80.862429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.862429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.862429 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -20.264
Base-Backbone interact. energy: -0.201
local terms energy: -52.226164
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -207.434457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434457 (E_RNA)
where:
Base-Base interactions energy: -131.869
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.016
local terms energy: -75.549721
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -17.788
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: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -230.265074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.265074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.265074 (E_RNA)
where:
Base-Base interactions energy: -147.518
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.178
local terms energy: -82.569748
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -200.092401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092401 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.009
local terms energy: -69.512298
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -180.592611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.592611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.592611 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -48.864
Base-Backbone interact. energy: 0.151
local terms energy: -71.187421
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -143.027699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.027699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.027699 (E_RNA)
where:
Base-Base interactions energy: -90.126
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.373
local terms energy: -52.528669
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: 2.092
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -178.323223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.323223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.323223 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.073
local terms energy: -61.672543
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -99.032253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.032253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.032253 (E_RNA)
where:
Base-Base interactions energy: -53.091
where: short stacking energy: -39.261
Base-Backbone interact. energy: 0.531
local terms energy: -46.471741
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -0.761
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: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -93.360855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.360855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.360855 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.272
local terms energy: -50.661909
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -2.956
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -73.841340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.841340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.841340 (E_RNA)
where:
Base-Base interactions energy: -28.262
where: short stacking energy: -16.613
Base-Backbone interact. energy: -1.396
local terms energy: -44.183329
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: 5.391
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: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -78.657897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657897 (E_RNA)
where:
Base-Base interactions energy: -30.809
where: short stacking energy: -29.770
Base-Backbone interact. energy: -1.288
local terms energy: -46.561380
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: 1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -221.099740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.099740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.099740 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -66.516
Base-Backbone interact. energy: -0.000
local terms energy: -78.135372
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -21.240
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: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -198.575892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.575892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.575892 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.061
local terms energy: -71.241503
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.490
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: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -197.459369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.459369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.459369 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -67.939
Base-Backbone interact. energy: -0.219
local terms energy: -73.737947
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -19.439
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: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -180.636271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636271 (E_RNA)
where:
Base-Base interactions energy: -114.950
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.058
local terms energy: -65.628889
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -173.605974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.605974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.605974 (E_RNA)
where:
Base-Base interactions energy: -116.987
where: short stacking energy: -46.080
Base-Backbone interact. energy: 0.091
local terms energy: -56.710186
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -11.280
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: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -158.744791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.744791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.744791 (E_RNA)
where:
Base-Base interactions energy: -93.813
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.291
local terms energy: -64.640234
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -105.907681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.907681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.907681 (E_RNA)
where:
Base-Base interactions energy: -52.500
where: short stacking energy: -26.015
Base-Backbone interact. energy: -0.117
local terms energy: -53.291002
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -81.519299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519299 (E_RNA)
where:
Base-Base interactions energy: -38.989
where: short stacking energy: -37.750
Base-Backbone interact. energy: 0.887
local terms energy: -43.417521
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -82.286182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286182 (E_RNA)
where:
Base-Base interactions energy: -37.096
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.132
local terms energy: -45.058204
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -86.740689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740689 (E_RNA)
where:
Base-Base interactions energy: -39.980
where: short stacking energy: -17.902
Base-Backbone interact. energy: -0.143
local terms energy: -46.618433
where:
bonds (distance) C4'-P energy: -7.839
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -219.798541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.798541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.798541 (E_RNA)
where:
Base-Base interactions energy: -146.493
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.241
local terms energy: -73.064549
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -194.134878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134878 (E_RNA)
where:
Base-Base interactions energy: -122.963
where: short stacking energy: -60.469
Base-Backbone interact. energy: 1.353
local terms energy: -72.524380
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -15.274
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: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -203.864882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.864882 (E_RNA)
where:
Base-Base interactions energy: -136.234
where: short stacking energy: -67.617
Base-Backbone interact. energy: 0.090
local terms energy: -67.721215
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.764
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: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -178.367980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.367980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.367980 (E_RNA)
where:
Base-Base interactions energy: -112.617
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.401
local terms energy: -65.349983
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -16.792
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: 17
Temperature: 1.100000
Total energy: -189.724105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.724105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724105 (E_RNA)
where:
Base-Base interactions energy: -126.701
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.211
local terms energy: -62.811814
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.479
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: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -153.097878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.097878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.097878 (E_RNA)
where:
Base-Base interactions energy: -96.376
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.084
local terms energy: -56.637897
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -97.860583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.860583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.860583 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.121
local terms energy: -61.291661
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -89.142645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.142645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.142645 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -36.248
Base-Backbone interact. energy: 1.426
local terms energy: -54.320935
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -75.447547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.447547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.447547 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.324
local terms energy: -45.859693
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -78.867585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.867585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.867585 (E_RNA)
where:
Base-Base interactions energy: -32.191
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.094
local terms energy: -46.582323
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -216.161365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.161365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161365 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.002
local terms energy: -74.713511
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -207.304745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.304745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.304745 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -66.850
Base-Backbone interact. energy: 0.158
local terms energy: -82.374410
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -195.289065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289065 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.146
local terms energy: -60.733881
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -181.532382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.532382 (E_RNA)
where:
Base-Base interactions energy: -115.702
where: short stacking energy: -52.299
Base-Backbone interact. energy: -0.852
local terms energy: -64.978336
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -181.707468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.707468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.707468 (E_RNA)
where:
Base-Base interactions energy: -115.991
where: short stacking energy: -51.924
Base-Backbone interact. energy: 0.323
local terms energy: -66.040244
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -13.791
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: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -156.524375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.524375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.524375 (E_RNA)
where:
Base-Base interactions energy: -98.394
where: short stacking energy: -53.272
Base-Backbone interact. energy: 0.133
local terms energy: -58.263797
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -115.319127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.319127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.319127 (E_RNA)
where:
Base-Base interactions energy: -73.507
where: short stacking energy: -41.650
Base-Backbone interact. energy: 0.782
local terms energy: -42.593583
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -0.039
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -96.346828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.346828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.346828 (E_RNA)
where:
Base-Base interactions energy: -49.438
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.154
local terms energy: -46.754508
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -3.827
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -80.753458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.753458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.753458 (E_RNA)
where:
Base-Base interactions energy: -26.389
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.128
local terms energy: -54.236167
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -80.453715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.453715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.453715 (E_RNA)
where:
Base-Base interactions energy: -35.802
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.526
local terms energy: -44.125353
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -220.668320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668320 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.002
local terms energy: -78.746811
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -19.306
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -205.757621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.757621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.757621 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.179
local terms energy: -83.521463
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.446
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: 19
Temperature: 1.000000
Total energy: -185.987988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.987988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.987988 (E_RNA)
where:
Base-Base interactions energy: -116.092
where: short stacking energy: -54.936
Base-Backbone interact. energy: 0.451
local terms energy: -70.346653
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -7.350
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: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -224.054029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.054029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.054029 (E_RNA)
where:
Base-Base interactions energy: -155.882
where: short stacking energy: -62.345
Base-Backbone interact. energy: 0.860
local terms energy: -69.032221
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -12.531
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: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -173.043262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043262 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.221
local terms energy: -62.583071
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.179
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: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -164.758778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.758778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.758778 (E_RNA)
where:
Base-Base interactions energy: -95.391
where: short stacking energy: -50.321
Base-Backbone interact. energy: -0.593
local terms energy: -68.774904
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -14.806
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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -82.428887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.428887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.428887 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -26.626
Base-Backbone interact. energy: -0.117
local terms energy: -55.685818
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.559
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -75.938926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.938926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.938926 (E_RNA)
where:
Base-Base interactions energy: -25.599
where: short stacking energy: -25.502
Base-Backbone interact. energy: 0.186
local terms energy: -50.525836
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -80.480566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.480566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.480566 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -38.809
Base-Backbone interact. energy: -0.104
local terms energy: -40.667468
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -77.608891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.608891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.608891 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.428
local terms energy: -50.818844
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -218.887381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.887381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.887381 (E_RNA)
where:
Base-Base interactions energy: -136.944
where: short stacking energy: -78.310
Base-Backbone interact. energy: -1.296
local terms energy: -80.646978
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -23.067
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -211.493875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.493875 (E_RNA)
where:
Base-Base interactions energy: -134.673
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.001
local terms energy: -76.819913
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -230.083207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.083207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.083207 (E_RNA)
where:
Base-Base interactions energy: -160.652
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.023
local terms energy: -69.408222
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -9.703
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: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -181.375879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.375879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.375879 (E_RNA)
where:
Base-Base interactions energy: -116.033
where: short stacking energy: -53.526
Base-Backbone interact. energy: 0.455
local terms energy: -65.797546
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -169.214651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.214651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.214651 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -44.923
Base-Backbone interact. energy: -0.262
local terms energy: -64.588991
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -154.258528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.258528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.258528 (E_RNA)
where:
Base-Base interactions energy: -86.683
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.447
local terms energy: -67.127939
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -117.871653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.871653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.871653 (E_RNA)
where:
Base-Base interactions energy: -53.043
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.363
local terms energy: -64.465504
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -7.976
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: 20
Temperature: 1.250000
Total energy: -86.427574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.427574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.427574 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -30.419
Base-Backbone interact. energy: -1.231
local terms energy: -51.506782
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: 4.422
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: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -81.160803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160803 (E_RNA)
where:
Base-Base interactions energy: -34.690
where: short stacking energy: -34.690
Base-Backbone interact. energy: -0.190
local terms energy: -46.281073
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -73.364245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.364245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.364245 (E_RNA)
where:
Base-Base interactions energy: -24.185
where: short stacking energy: -20.724
Base-Backbone interact. energy: -0.322
local terms energy: -48.857679
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -2.087
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -214.504654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.504654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.504654 (E_RNA)
where:
Base-Base interactions energy: -127.504
where: short stacking energy: -67.311
Base-Backbone interact. energy: 0.567
local terms energy: -87.567643
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -240.124953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.124953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.124953 (E_RNA)
where:
Base-Base interactions energy: -165.269
where: short stacking energy: -70.589
Base-Backbone interact. energy: -0.015
local terms energy: -74.840747
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -228.348418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.348418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.348418 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.011
local terms energy: -78.476179
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -195.753365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.753365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.753365 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.439
local terms energy: -63.764370
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -154.672826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.672826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.672826 (E_RNA)
where:
Base-Base interactions energy: -98.495
where: short stacking energy: -36.627
Base-Backbone interact. energy: -1.169
local terms energy: -55.009070
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -104.912119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.912119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.912119 (E_RNA)
where:
Base-Base interactions energy: -50.234
where: short stacking energy: -35.247
Base-Backbone interact. energy: -0.154
local terms energy: -54.524030
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -9.021
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: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -129.337072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.337072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.337072 (E_RNA)
where:
Base-Base interactions energy: -69.972
where: short stacking energy: -46.495
Base-Backbone interact. energy: 0.125
local terms energy: -59.490495
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -82.790735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.790735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.790735 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.163
local terms energy: -47.978048
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -80.595099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.595099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.595099 (E_RNA)
where:
Base-Base interactions energy: -21.045
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.140
local terms energy: -59.410768
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.755568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755568 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.435
local terms energy: -44.761206
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -1.417
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: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -234.468606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.468606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.468606 (E_RNA)
where:
Base-Base interactions energy: -166.623
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.045
local terms energy: -67.799945
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -207.477090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.477090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.477090 (E_RNA)
where:
Base-Base interactions energy: -133.044
where: short stacking energy: -71.252
Base-Backbone interact. energy: 0.222
local terms energy: -74.655348
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -21.683
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -212.687201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.687201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.687201 (E_RNA)
where:
Base-Base interactions energy: -136.729
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.234
local terms energy: -75.723392
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -180.981882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981882 (E_RNA)
where:
Base-Base interactions energy: -114.911
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.026
local terms energy: -66.044703
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -16.358
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -167.925836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.925836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.925836 (E_RNA)
where:
Base-Base interactions energy: -107.425
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.034
local terms energy: -60.467521
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -8.727
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: 22
Temperature: 1.150000
Total energy: -97.914023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.914023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.914023 (E_RNA)
where:
Base-Base interactions energy: -45.467
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.263
local terms energy: -52.184647
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -129.895982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.895982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.895982 (E_RNA)
where:
Base-Base interactions energy: -80.976
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.363
local terms energy: -48.556716
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -84.782307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782307 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.221
local terms energy: -48.691130
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.471
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: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -85.725666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725666 (E_RNA)
where:
Base-Base interactions energy: -35.948
where: short stacking energy: -26.510
Base-Backbone interact. energy: 0.682
local terms energy: -50.459374
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -86.843611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.843611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.843611 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -30.310
Base-Backbone interact. energy: -0.168
local terms energy: -51.000463
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -226.886952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.886952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.886952 (E_RNA)
where:
Base-Base interactions energy: -156.707
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.171
local terms energy: -70.009139
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.660
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: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -220.417738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.417738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.417738 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.735
local terms energy: -72.080531
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -17.990
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: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -201.753974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.753974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.753974 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.002
local terms energy: -75.225586
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -12.336
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: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -168.305099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.305099 (E_RNA)
where:
Base-Base interactions energy: -114.129
where: short stacking energy: -50.085
Base-Backbone interact. energy: -0.390
local terms energy: -53.786958
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -4.967
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: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -149.842745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.842745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.842745 (E_RNA)
where:
Base-Base interactions energy: -102.064
where: short stacking energy: -33.227
Base-Backbone interact. energy: -0.079
local terms energy: -47.699766
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -3.492
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -154.794382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.794382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.794382 (E_RNA)
where:
Base-Base interactions energy: -85.422
where: short stacking energy: -46.189
Base-Backbone interact. energy: -0.070
local terms energy: -69.301681
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -129.751193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.751193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.751193 (E_RNA)
where:
Base-Base interactions energy: -74.892
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.275
local terms energy: -54.584278
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -5.194
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: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -113.146100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.146100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.146100 (E_RNA)
where:
Base-Base interactions energy: -66.911
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.132
local terms energy: -46.103522
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -83.744707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.744707 (E_RNA)
where:
Base-Base interactions energy: -33.672
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.233
local terms energy: -49.839415
where:
bonds (distance) C4'-P energy: -6.999
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -91.666859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666859 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.073
local terms energy: -56.762122
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -231.410742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.410742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.410742 (E_RNA)
where:
Base-Base interactions energy: -158.062
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.175
local terms energy: -73.174145
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -18.602
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: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -199.571901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.571901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.571901 (E_RNA)
where:
Base-Base interactions energy: -124.606
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.602
local terms energy: -74.364159
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -19.029
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -184.163119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.163119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.163119 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.486
local terms energy: -66.404919
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -154.098634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.098634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.098634 (E_RNA)
where:
Base-Base interactions energy: -94.533
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.059
local terms energy: -59.506633
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -164.426574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.426574 (E_RNA)
where:
Base-Base interactions energy: -111.659
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.239
local terms energy: -52.528316
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -9.923
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: 24
Temperature: 1.150000
Total energy: -163.097213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.097213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.097213 (E_RNA)
where:
Base-Base interactions energy: -98.428
where: short stacking energy: -43.665
Base-Backbone interact. energy: -0.054
local terms energy: -64.615542
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -109.292897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.292897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.292897 (E_RNA)
where:
Base-Base interactions energy: -58.071
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.979
local terms energy: -50.242721
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -176.254887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.254887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.254887 (E_RNA)
where:
Base-Base interactions energy: -113.157
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.081
local terms energy: -63.016355
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -12.805
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: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -87.532549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.532549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.532549 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -21.171
Base-Backbone interact. energy: -0.039
local terms energy: -44.975119
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -80.033393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.033393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.033393 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.100
local terms energy: -44.182856
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -7.948
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -234.749581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749581 (E_RNA)
where:
Base-Base interactions energy: -162.854
where: short stacking energy: -68.978
Base-Backbone interact. energy: -0.014
local terms energy: -71.882110
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -18.386
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: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -216.688530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.688530 (E_RNA)
where:
Base-Base interactions energy: -140.467
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.159
local terms energy: -76.062096
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -17.754
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: 25
Temperature: 1.000000
Total energy: -180.810355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.810355 (E_RNA)
where:
Base-Base interactions energy: -112.788
where: short stacking energy: -50.727
Base-Backbone interact. energy: -0.098
local terms energy: -67.923947
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -169.979044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.979044 (E_RNA)
where:
Base-Base interactions energy: -102.865
where: short stacking energy: -55.967
Base-Backbone interact. energy: -0.009
local terms energy: -67.104578
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -156.553680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.553680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.553680 (E_RNA)
where:
Base-Base interactions energy: -109.894
where: short stacking energy: -39.604
Base-Backbone interact. energy: 3.731
local terms energy: -50.390249
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -4.733
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: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -176.553790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553790 (E_RNA)
where:
Base-Base interactions energy: -110.557
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.710
local terms energy: -65.287372
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -96.443464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.443464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.443464 (E_RNA)
where:
Base-Base interactions energy: -42.545
where: short stacking energy: -22.227
Base-Backbone interact. energy: -0.246
local terms energy: -53.652985
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -161.872343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.872343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.872343 (E_RNA)
where:
Base-Base interactions energy: -104.273
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.392
local terms energy: -57.207199
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -78.029338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.029338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.029338 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -28.501
Base-Backbone interact. energy: -0.144
local terms energy: -46.930591
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: 4.163
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: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -88.572634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572634 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -34.688
Base-Backbone interact. energy: -0.214
local terms energy: -52.959980
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -237.766088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.766088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.766088 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.007
local terms energy: -77.358739
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -21.416
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -210.641570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.641570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.641570 (E_RNA)
where:
Base-Base interactions energy: -132.578
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.102
local terms energy: -77.961935
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -18.871
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -190.496968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.496968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496968 (E_RNA)
where:
Base-Base interactions energy: -121.221
where: short stacking energy: -57.858
Base-Backbone interact. energy: 0.574
local terms energy: -69.849722
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -181.121962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.121962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.121962 (E_RNA)
where:
Base-Base interactions energy: -114.955
where: short stacking energy: -71.707
Base-Backbone interact. energy: -0.044
local terms energy: -66.122594
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -19.552
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: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -162.917347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.917347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.917347 (E_RNA)
where:
Base-Base interactions energy: -100.426
where: short stacking energy: -42.391
Base-Backbone interact. energy: 0.569
local terms energy: -63.059813
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.858
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: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -152.546631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.546631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.546631 (E_RNA)
where:
Base-Base interactions energy: -89.930
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.156
local terms energy: -62.460725
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -139.868393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.868393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.868393 (E_RNA)
where:
Base-Base interactions energy: -85.952
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.097
local terms energy: -53.820030
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -96.563184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.563184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.563184 (E_RNA)
where:
Base-Base interactions energy: -43.451
where: short stacking energy: -43.451
Base-Backbone interact. energy: -0.085
local terms energy: -53.027578
where:
bonds (distance) C4'-P energy: -4.917
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -12.379
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: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -74.171447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.171447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.171447 (E_RNA)
where:
Base-Base interactions energy: -26.082
where: short stacking energy: -26.082
Base-Backbone interact. energy: -0.040
local terms energy: -48.049091
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -0.372
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: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.503108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.503108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.503108 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -29.803
Base-Backbone interact. energy: 0.090
local terms energy: -43.185497
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -3.310
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: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -240.482305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.482305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.482305 (E_RNA)
where:
Base-Base interactions energy: -161.020
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.193
local terms energy: -79.269538
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -217.825285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.825285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.825285 (E_RNA)
where:
Base-Base interactions energy: -146.982
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.011
local terms energy: -70.833081
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -198.845963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.845963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.845963 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.554
local terms energy: -70.547794
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -21.829
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: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -168.028231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.028231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.028231 (E_RNA)
where:
Base-Base interactions energy: -100.441
where: short stacking energy: -53.848
Base-Backbone interact. energy: -0.856
local terms energy: -66.731564
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -16.511
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: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -173.825938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.825938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.825938 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -40.110
Base-Backbone interact. energy: 5.830
local terms energy: -55.217944
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -161.770294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.770294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.770294 (E_RNA)
where:
Base-Base interactions energy: -98.034
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.980
local terms energy: -62.756297
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -131.412906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.412906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.412906 (E_RNA)
where:
Base-Base interactions energy: -77.128
where: short stacking energy: -36.748
Base-Backbone interact. energy: -0.543
local terms energy: -53.741087
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -78.595201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.595201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.595201 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.110
local terms energy: -47.613644
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -79.795453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.795453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.795453 (E_RNA)
where:
Base-Base interactions energy: -29.071
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.309
local terms energy: -50.415203
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.731954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731954 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -22.501
Base-Backbone interact. energy: -1.596
local terms energy: -51.583249
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: 7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -229.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.062724 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.081
local terms energy: -77.083331
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -229.370117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.370117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.370117 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -66.057
Base-Backbone interact. energy: -0.310
local terms energy: -75.652657
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -174.531888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.531888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.531888 (E_RNA)
where:
Base-Base interactions energy: -105.425
where: short stacking energy: -55.977
Base-Backbone interact. energy: 0.163
local terms energy: -69.270069
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -13.154
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: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -201.344756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344756 (E_RNA)
where:
Base-Base interactions energy: -129.778
where: short stacking energy: -65.378
Base-Backbone interact. energy: -0.012
local terms energy: -71.554203
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -20.132
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: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -173.012854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.012854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012854 (E_RNA)
where:
Base-Base interactions energy: -108.364
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.003
local terms energy: -64.645776
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -167.674499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.674499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.674499 (E_RNA)
where:
Base-Base interactions energy: -107.113
where: short stacking energy: -41.589
Base-Backbone interact. energy: -1.223
local terms energy: -59.338580
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -129.508364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.508364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.508364 (E_RNA)
where:
Base-Base interactions energy: -73.671
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.389
local terms energy: -55.448122
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -82.242672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242672 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -36.084
Base-Backbone interact. energy: 1.411
local terms energy: -43.201221
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -105.762025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.762025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.762025 (E_RNA)
where:
Base-Base interactions energy: -67.477
where: short stacking energy: -23.039
Base-Backbone interact. energy: 0.132
local terms energy: -38.416986
where:
bonds (distance) C4'-P energy: -5.105
bonds (distance) P-C4' energy: -6.411
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -68.615775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.615775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.615775 (E_RNA)
where:
Base-Base interactions energy: -22.068
where: short stacking energy: -19.325
Base-Backbone interact. energy: -0.245
local terms energy: -46.303124
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -221.472889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472889 (E_RNA)
where:
Base-Base interactions energy: -146.812
where: short stacking energy: -58.523
Base-Backbone interact. energy: -0.089
local terms energy: -74.572191
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -231.665177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.665177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.665177 (E_RNA)
where:
Base-Base interactions energy: -148.817
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.101
local terms energy: -82.747395
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -174.404784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.404784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.404784 (E_RNA)
where:
Base-Base interactions energy: -110.333
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.303
local terms energy: -63.769088
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -184.369028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369028 (E_RNA)
where:
Base-Base interactions energy: -113.972
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.118
local terms energy: -70.279417
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -192.717326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717326 (E_RNA)
where:
Base-Base interactions energy: -123.272
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.320
local terms energy: -69.124817
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -151.114045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.114045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.114045 (E_RNA)
where:
Base-Base interactions energy: -95.792
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.250
local terms energy: -55.072696
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: 0.274
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: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -94.403819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.403819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.403819 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.029
local terms energy: -55.013932
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -120.134966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.134966 (E_RNA)
where:
Base-Base interactions energy: -71.377
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.154
local terms energy: -48.603662
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -86.178412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.178412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.178412 (E_RNA)
where:
Base-Base interactions energy: -22.662
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.033
local terms energy: -63.483151
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.714
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: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -69.869318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.869318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.869318 (E_RNA)
where:
Base-Base interactions energy: -19.459
where: short stacking energy: -19.450
Base-Backbone interact. energy: 0.598
local terms energy: -51.008107
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -238.910985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.910985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.910985 (E_RNA)
where:
Base-Base interactions energy: -164.036
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.017
local terms energy: -74.857718
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -219.795406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.795406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.795406 (E_RNA)
where:
Base-Base interactions energy: -148.252
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.033
local terms energy: -71.511085
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -189.205199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.205199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.205199 (E_RNA)
where:
Base-Base interactions energy: -123.414
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.313
local terms energy: -65.478586
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -14.386
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: 30
Temperature: 1.050000
Total energy: -163.939979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.939979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.939979 (E_RNA)
where:
Base-Base interactions energy: -97.753
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.548
local terms energy: -65.638320
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -180.482398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482398 (E_RNA)
where:
Base-Base interactions energy: -123.610
where: short stacking energy: -54.026
Base-Backbone interact. energy: 0.089
local terms energy: -56.961519
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -8.938
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -8.545
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: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -187.736629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.736629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.736629 (E_RNA)
where:
Base-Base interactions energy: -123.177
where: short stacking energy: -49.525
Base-Backbone interact. energy: -0.109
local terms energy: -64.451290
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -11.908
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: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -103.089944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.089944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.089944 (E_RNA)
where:
Base-Base interactions energy: -53.894
where: short stacking energy: -37.814
Base-Backbone interact. energy: -0.311
local terms energy: -48.884961
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -5.266
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: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -88.588007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.588007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.588007 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.275
local terms energy: -51.018159
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -71.580260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.580260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.580260 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -17.074
Base-Backbone interact. energy: -0.750
local terms energy: -50.866614
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: 4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.636084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.636084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.636084 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.147
local terms energy: -42.179562
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -3.192
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -241.502165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.502165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.502165 (E_RNA)
where:
Base-Base interactions energy: -161.757
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.004
local terms energy: -79.741080
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -220.677404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.677404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.677404 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.001
local terms energy: -76.930513
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -198.524689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.524689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.524689 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.046
local terms energy: -72.851983
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -189.620387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620387 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.055
local terms energy: -67.693997
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -7.600
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -152.551251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.551251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.551251 (E_RNA)
where:
Base-Base interactions energy: -94.760
where: short stacking energy: -47.717
Base-Backbone interact. energy: -0.115
local terms energy: -57.676301
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -7.928
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: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -187.856555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856555 (E_RNA)
where:
Base-Base interactions energy: -117.924
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.123
local terms energy: -69.809637
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -96.385653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385653 (E_RNA)
where:
Base-Base interactions energy: -42.547
where: short stacking energy: -37.040
Base-Backbone interact. energy: -0.311
local terms energy: -53.527147
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -5.498
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -86.076163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.076163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.076163 (E_RNA)
where:
Base-Base interactions energy: -29.311
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.004
local terms energy: -56.761688
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -77.271325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.271325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.271325 (E_RNA)
where:
Base-Base interactions energy: -42.095
where: short stacking energy: -33.921
Base-Backbone interact. energy: 0.279
local terms energy: -35.455605
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -4.787
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: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -79.580982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.580982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.580982 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.359
local terms energy: -42.322761
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -236.118237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.118237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.118237 (E_RNA)
where:
Base-Base interactions energy: -162.972
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.196
local terms energy: -72.950574
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.430
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: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -206.392379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.392379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.392379 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -70.816
Base-Backbone interact. energy: 0.219
local terms energy: -74.248473
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -198.810499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.810499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.810499 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -56.727
Base-Backbone interact. energy: 0.568
local terms energy: -73.884597
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -196.108897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.108897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.108897 (E_RNA)
where:
Base-Base interactions energy: -125.786
where: short stacking energy: -56.449
Base-Backbone interact. energy: -0.309
local terms energy: -70.014303
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -180.954392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.954392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.954392 (E_RNA)
where:
Base-Base interactions energy: -116.450
where: short stacking energy: -50.990
Base-Backbone interact. energy: -0.364
local terms energy: -64.140054
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -14.622
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -165.304223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.304223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.304223 (E_RNA)
where:
Base-Base interactions energy: -98.338
where: short stacking energy: -51.890
Base-Backbone interact. energy: -0.114
local terms energy: -66.852354
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -84.659728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.659728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.659728 (E_RNA)
where:
Base-Base interactions energy: -36.143
where: short stacking energy: -31.105
Base-Backbone interact. energy: 4.083
local terms energy: -52.599746
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -87.790734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.790734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.790734 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -22.426
Base-Backbone interact. energy: -0.331
local terms energy: -63.451244
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -5.551
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -8.628
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -78.071639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.071639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.071639 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.154
local terms energy: -48.651988
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.430183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430183 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.126
local terms energy: -53.984699
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -237.993226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.993226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.993226 (E_RNA)
where:
Base-Base interactions energy: -157.078
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.002
local terms energy: -80.913018
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -203.451490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.451490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.451490 (E_RNA)
where:
Base-Base interactions energy: -127.929
where: short stacking energy: -55.604
Base-Backbone interact. energy: -0.078
local terms energy: -75.444579
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -18.367
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -217.885340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.885340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.885340 (E_RNA)
where:
Base-Base interactions energy: -143.491
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.932
local terms energy: -73.462143
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -190.092378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.092378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.092378 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -54.841
Base-Backbone interact. energy: -0.051
local terms energy: -74.199740
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -182.604582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.604582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604582 (E_RNA)
where:
Base-Base interactions energy: -123.954
where: short stacking energy: -43.245
Base-Backbone interact. energy: -0.339
local terms energy: -58.311143
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -154.238851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.238851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.238851 (E_RNA)
where:
Base-Base interactions energy: -89.192
where: short stacking energy: -44.168
Base-Backbone interact. energy: -0.018
local terms energy: -65.028208
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -99.122857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.122857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.122857 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -35.762
Base-Backbone interact. energy: -0.030
local terms energy: -63.330583
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -8.954
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: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -141.212085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.212085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.212085 (E_RNA)
where:
Base-Base interactions energy: -86.629
where: short stacking energy: -46.017
Base-Backbone interact. energy: -0.154
local terms energy: -54.428810
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -8.254
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: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -73.062089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.062089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.062089 (E_RNA)
where:
Base-Base interactions energy: -17.178
where: short stacking energy: -10.901
Base-Backbone interact. energy: -0.337
local terms energy: -55.547094
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -76.381550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.381550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.381550 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -27.180
Base-Backbone interact. energy: -0.360
local terms energy: -44.455933
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: 3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -231.673805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.673805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.673805 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.000
local terms energy: -82.007954
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -204.140228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140228 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.032
local terms energy: -74.399844
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -206.102839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.102839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102839 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.105
local terms energy: -64.235335
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -17.280
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -197.553810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.553810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.553810 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -60.403
Base-Backbone interact. energy: -1.305
local terms energy: -71.500628
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -15.277
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: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -190.403650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.403650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.403650 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.090
local terms energy: -65.965937
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -143.399558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.399558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.399558 (E_RNA)
where:
Base-Base interactions energy: -81.295
where: short stacking energy: -44.328
Base-Backbone interact. energy: -0.621
local terms energy: -61.484427
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -128.038463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.038463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.038463 (E_RNA)
where:
Base-Base interactions energy: -71.628
where: short stacking energy: -38.266
Base-Backbone interact. energy: -0.224
local terms energy: -56.186145
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.392
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: 8, replica: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -89.689010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.689010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.689010 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.126
local terms energy: -55.346619
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -3.254
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -90.373855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.373855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.373855 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.802
local terms energy: -48.968140
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -116.242385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.242385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.242385 (E_RNA)
where:
Base-Base interactions energy: -64.980
where: short stacking energy: -25.512
Base-Backbone interact. energy: -0.310
local terms energy: -50.952815
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.331
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -233.597927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597927 (E_RNA)
where:
Base-Base interactions energy: -159.578
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.220
local terms energy: -73.799962
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -20.128
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: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -212.318123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318123 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.007
local terms energy: -76.655623
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -196.215660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.215660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.215660 (E_RNA)
where:
Base-Base interactions energy: -121.309
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.034
local terms energy: -74.872436
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -190.072142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.072142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.072142 (E_RNA)
where:
Base-Base interactions energy: -119.489
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.025
local terms energy: -70.558446
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.271
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: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -180.312681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.312681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.312681 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.435
local terms energy: -68.423615
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -98.493878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.493878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.493878 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.111
local terms energy: -52.300097
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -92.320379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.320379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.320379 (E_RNA)
where:
Base-Base interactions energy: -51.235
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.870
local terms energy: -40.215661
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: 0.728
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: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -83.552724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.552724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.552724 (E_RNA)
where:
Base-Base interactions energy: -32.652
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.123
local terms energy: -50.778062
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -115.218665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.218665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.218665 (E_RNA)
where:
Base-Base interactions energy: -61.962
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.197
local terms energy: -53.059428
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.044
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -144.972500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.972500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.972500 (E_RNA)
where:
Base-Base interactions energy: -90.558
where: short stacking energy: -44.435
Base-Backbone interact. energy: -0.049
local terms energy: -54.365431
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -8.286
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -218.466181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.466181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.466181 (E_RNA)
where:
Base-Base interactions energy: -141.525
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.128
local terms energy: -76.813214
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.650
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -231.606722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.606722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.606722 (E_RNA)
where:
Base-Base interactions energy: -156.999
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.103
local terms energy: -74.504129
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -195.839503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.839503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.839503 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.287
local terms energy: -75.223136
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -195.933610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.933610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.933610 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -52.969
Base-Backbone interact. energy: -0.548
local terms energy: -73.562000
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -184.851553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.851553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.851553 (E_RNA)
where:
Base-Base interactions energy: -116.891
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.165
local terms energy: -67.795628
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -107.894129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.894129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.894129 (E_RNA)
where:
Base-Base interactions energy: -54.511
where: short stacking energy: -42.366
Base-Backbone interact. energy: -0.437
local terms energy: -52.946597
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -7.711
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: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -87.071998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071998 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.322
local terms energy: -53.158420
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -81.187088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.187088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.187088 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.259
local terms energy: -38.518062
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -3.703
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -133.447806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.447806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.447806 (E_RNA)
where:
Base-Base interactions energy: -77.569
where: short stacking energy: -37.527
Base-Backbone interact. energy: -1.040
local terms energy: -54.839686
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -73.630194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.630194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.630194 (E_RNA)
where:
Base-Base interactions energy: -29.017
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.015
local terms energy: -44.598394
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -219.649755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.649755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.649755 (E_RNA)
where:
Base-Base interactions energy: -141.301
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.190
local terms energy: -78.158683
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -20.966
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: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -238.088514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.088514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.088514 (E_RNA)
where:
Base-Base interactions energy: -153.492
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.001
local terms energy: -84.595134
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -22.380
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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -197.485863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.485863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.485863 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.195
local terms energy: -72.806712
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -190.532781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.532781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.532781 (E_RNA)
where:
Base-Base interactions energy: -118.200
where: short stacking energy: -58.554
Base-Backbone interact. energy: -1.210
local terms energy: -71.121979
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -18.871
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -168.807322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.807322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.807322 (E_RNA)
where:
Base-Base interactions energy: -100.515
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.122
local terms energy: -68.170174
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -6.889
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -102.642045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.642045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.642045 (E_RNA)
where:
Base-Base interactions energy: -39.586
where: short stacking energy: -39.586
Base-Backbone interact. energy: -0.056
local terms energy: -62.999827
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -4.538
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: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -104.410372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.410372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.410372 (E_RNA)
where:
Base-Base interactions energy: -44.345
where: short stacking energy: -33.849
Base-Backbone interact. energy: -0.011
local terms energy: -60.053413
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -121.364904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.364904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.364904 (E_RNA)
where:
Base-Base interactions energy: -74.176
where: short stacking energy: -33.816
Base-Backbone interact. energy: 3.097
local terms energy: -50.286726
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -3.952
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: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -109.649119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.649119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.649119 (E_RNA)
where:
Base-Base interactions energy: -62.783
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.023
local terms energy: -46.842865
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -75.317125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.317125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.317125 (E_RNA)
where:
Base-Base interactions energy: -27.012
where: short stacking energy: -21.638
Base-Backbone interact. energy: 1.917
local terms energy: -50.221211
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -240.942972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.942972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.942972 (E_RNA)
where:
Base-Base interactions energy: -160.195
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.428
local terms energy: -80.320457
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -21.809
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: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -225.672818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.672818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.672818 (E_RNA)
where:
Base-Base interactions energy: -146.257
where: short stacking energy: -63.634
Base-Backbone interact. energy: -1.530
local terms energy: -77.885653
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -22.356
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: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -191.311020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.311020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.311020 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.909
local terms energy: -73.293123
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.476
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: 38
Temperature: 1.050000
Total energy: -195.767097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767097 (E_RNA)
where:
Base-Base interactions energy: -121.415
where: short stacking energy: -60.276
Base-Backbone interact. energy: 0.040
local terms energy: -74.392484
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.711
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -182.612307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.612307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.612307 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.031
local terms energy: -71.134856
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -17.885
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -131.391673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.391673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.391673 (E_RNA)
where:
Base-Base interactions energy: -80.909
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.424
local terms energy: -50.059083
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -4.180
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: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -123.454539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.454539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.454539 (E_RNA)
where:
Base-Base interactions energy: -72.927
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.157
local terms energy: -50.371120
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -6.332
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -92.470437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470437 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -23.978
Base-Backbone interact. energy: -0.166
local terms energy: -57.403797
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -5.108
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: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -86.517948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517948 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.027
local terms energy: -51.279016
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -84.139339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.139339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.139339 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -29.299
Base-Backbone interact. energy: -1.317
local terms energy: -51.173322
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -6.366
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -249.348824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.348824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.348824 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.002
local terms energy: -84.386414
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -22.294
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -213.690639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690639 (E_RNA)
where:
Base-Base interactions energy: -138.169
where: short stacking energy: -68.380
Base-Backbone interact. energy: -1.145
local terms energy: -74.376426
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -189.849718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.849718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.849718 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -57.500
Base-Backbone interact. energy: -0.961
local terms energy: -67.718635
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -182.723903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.723903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.723903 (E_RNA)
where:
Base-Base interactions energy: -115.127
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.216
local terms energy: -67.381067
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -195.150176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.150176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.150176 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -61.015
Base-Backbone interact. energy: 0.570
local terms energy: -75.973295
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -134.635485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.635485 (E_RNA)
where:
Base-Base interactions energy: -72.393
where: short stacking energy: -33.307
Base-Backbone interact. energy: 0.238
local terms energy: -62.479721
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.561
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: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -131.653226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.653226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.653226 (E_RNA)
where:
Base-Base interactions energy: -77.658
where: short stacking energy: -31.155
Base-Backbone interact. energy: -0.089
local terms energy: -53.905699
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -87.830709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.830709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.830709 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -29.781
Base-Backbone interact. energy: 0.127
local terms energy: -58.176353
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -83.992787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.992787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.992787 (E_RNA)
where:
Base-Base interactions energy: -41.501
where: short stacking energy: -14.702
Base-Backbone interact. energy: 1.491
local terms energy: -43.981964
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: 3.111
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -83.460120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.460120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.460120 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.018
local terms energy: -49.569428
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -3.151
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: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -235.812202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.812202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.812202 (E_RNA)
where:
Base-Base interactions energy: -155.283
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.001
local terms energy: -80.528285
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -211.748754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748754 (E_RNA)
where:
Base-Base interactions energy: -141.496
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.016
local terms energy: -70.236287
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -201.900115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.900115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.900115 (E_RNA)
where:
Base-Base interactions energy: -125.744
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.860
local terms energy: -75.296652
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -180.674685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.674685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.674685 (E_RNA)
where:
Base-Base interactions energy: -116.813
where: short stacking energy: -50.825
Base-Backbone interact. energy: -0.405
local terms energy: -63.456140
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -181.163717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.163717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.163717 (E_RNA)
where:
Base-Base interactions energy: -108.946
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.100
local terms energy: -72.117601
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -176.676602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.676602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.676602 (E_RNA)
where:
Base-Base interactions energy: -113.182
where: short stacking energy: -57.787
Base-Backbone interact. energy: -1.045
local terms energy: -62.449573
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -14.892
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: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -140.498360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.498360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.498360 (E_RNA)
where:
Base-Base interactions energy: -84.889
where: short stacking energy: -37.123
Base-Backbone interact. energy: -0.261
local terms energy: -55.348694
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -91.647589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647589 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -35.915
Base-Backbone interact. energy: -0.177
local terms energy: -55.555377
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -105.497845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.497845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.497845 (E_RNA)
where:
Base-Base interactions energy: -57.739
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.103
local terms energy: -47.654993
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -116.232587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.232587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.232587 (E_RNA)
where:
Base-Base interactions energy: -73.036
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.156
local terms energy: -43.041175
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -242.102875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.102875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.102875 (E_RNA)
where:
Base-Base interactions energy: -168.207
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.035
local terms energy: -73.861401
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -227.222270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.222270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.222270 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.930
local terms energy: -80.124419
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -21.779
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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -193.605247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.605247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.605247 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.561
local terms energy: -71.308218
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -12.049
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: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -216.077013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.077013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.077013 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.176
local terms energy: -68.221776
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -177.420801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.420801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.420801 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -40.371
Base-Backbone interact. energy: -0.611
local terms energy: -64.805701
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -13.121
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -189.885286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.885286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.885286 (E_RNA)
where:
Base-Base interactions energy: -119.315
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.009
local terms energy: -70.561822
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -126.217079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.217079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.217079 (E_RNA)
where:
Base-Base interactions energy: -71.962
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.214
local terms energy: -54.041489
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -80.091240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.091240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.091240 (E_RNA)
where:
Base-Base interactions energy: -29.065
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.237
local terms energy: -50.789583
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -10.137
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -73.784395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.784395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.784395 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -19.171
Base-Backbone interact. energy: -0.447
local terms energy: -44.990464
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: 2.552
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: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -119.234052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.234052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.234052 (E_RNA)
where:
Base-Base interactions energy: -72.236
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.971
local terms energy: -46.026721
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -7.617
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -213.517393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.517393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.517393 (E_RNA)
where:
Base-Base interactions energy: -137.352
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.600
local terms energy: -75.564751
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -20.359
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: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -234.647416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.647416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.647416 (E_RNA)
where:
Base-Base interactions energy: -157.446
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.101
local terms energy: -77.100775
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -228.910089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.910089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910089 (E_RNA)
where:
Base-Base interactions energy: -155.461
where: short stacking energy: -74.645
Base-Backbone interact. energy: -0.005
local terms energy: -73.444360
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -189.658985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.658985 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.002
local terms energy: -67.422254
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -179.545232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.545232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.545232 (E_RNA)
where:
Base-Base interactions energy: -108.779
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.687
local terms energy: -70.079103
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.820
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: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -183.059867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.059867 (E_RNA)
where:
Base-Base interactions energy: -117.674
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.008
local terms energy: -65.377973
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -150.469495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.469495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.469495 (E_RNA)
where:
Base-Base interactions energy: -97.520
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.295
local terms energy: -52.653799
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -82.951259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.951259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.951259 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.051
local terms energy: -52.547705
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: 1.058
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: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -141.192470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.192470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.192470 (E_RNA)
where:
Base-Base interactions energy: -79.532
where: short stacking energy: -41.596
Base-Backbone interact. energy: -0.092
local terms energy: -61.568985
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -5.261
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -78.340937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.340937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.340937 (E_RNA)
where:
Base-Base interactions energy: -37.468
where: short stacking energy: -18.680
Base-Backbone interact. energy: -1.387
local terms energy: -39.485935
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -3.934
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: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -221.151935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.151935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.151935 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.926
local terms energy: -75.903172
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -225.899830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.899830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.899830 (E_RNA)
where:
Base-Base interactions energy: -151.018
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.005
local terms energy: -74.876411
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.368
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: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -232.901102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.901102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.901102 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.297
local terms energy: -76.235032
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -187.043266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043266 (E_RNA)
where:
Base-Base interactions energy: -120.284
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.100
local terms energy: -66.659745
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -16.600
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: 43
Temperature: 1.100000
Total energy: -195.968230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968230 (E_RNA)
where:
Base-Base interactions energy: -121.961
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.040
local terms energy: -73.966752
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -15.403
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: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -161.230038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230038 (E_RNA)
where:
Base-Base interactions energy: -96.460
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.257
local terms energy: -64.512503
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -174.337699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337699 (E_RNA)
where:
Base-Base interactions energy: -101.458
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.016
local terms energy: -72.864323
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -20.822
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: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -114.508315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.508315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.508315 (E_RNA)
where:
Base-Base interactions energy: -70.456
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.500
local terms energy: -43.552613
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.380
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: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -74.747301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.747301 (E_RNA)
where:
Base-Base interactions energy: -19.943
where: short stacking energy: -17.909
Base-Backbone interact. energy: -0.107
local terms energy: -54.696727
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -72.496057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.496057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.496057 (E_RNA)
where:
Base-Base interactions energy: -21.877
where: short stacking energy: -17.202
Base-Backbone interact. energy: -0.077
local terms energy: -50.541835
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -234.731436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.731436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.731436 (E_RNA)
where:
Base-Base interactions energy: -155.279
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.886
local terms energy: -78.567048
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -208.308817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308817 (E_RNA)
where:
Base-Base interactions energy: -139.479
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.008
local terms energy: -68.822196
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -17.580
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -227.963637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.963637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.963637 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.004
local terms energy: -82.151663
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -16.203
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: 44
Temperature: 1.050000
Total energy: -190.240771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.240771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.240771 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -52.125
Base-Backbone interact. energy: -0.006
local terms energy: -72.685432
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -16.535
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: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -158.059153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.059153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.059153 (E_RNA)
where:
Base-Base interactions energy: -93.187
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.666
local terms energy: -64.206415
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -184.195918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.195918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.195918 (E_RNA)
where:
Base-Base interactions energy: -114.323
where: short stacking energy: -49.957
Base-Backbone interact. energy: -0.314
local terms energy: -69.559597
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -166.722459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.722459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.722459 (E_RNA)
where:
Base-Base interactions energy: -98.224
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.337
local terms energy: -68.161697
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -145.866867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.866867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.866867 (E_RNA)
where:
Base-Base interactions energy: -92.732
where: short stacking energy: -34.581
Base-Backbone interact. energy: 1.151
local terms energy: -54.286106
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -6.615
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -79.913857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.913857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.913857 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.174
local terms energy: -53.691213
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.526233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.526233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.526233 (E_RNA)
where:
Base-Base interactions energy: -26.336
where: short stacking energy: -24.905
Base-Backbone interact. energy: 1.186
local terms energy: -56.376448
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -236.727120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.727120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.727120 (E_RNA)
where:
Base-Base interactions energy: -160.565
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.012
local terms energy: -76.150129
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -234.604511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.604511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.604511 (E_RNA)
where:
Base-Base interactions energy: -156.249
where: short stacking energy: -69.390
Base-Backbone interact. energy: -0.323
local terms energy: -78.032335
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -209.084059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.084059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.084059 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -56.648
Base-Backbone interact. energy: -1.083
local terms energy: -71.425165
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -190.838127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.838127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.838127 (E_RNA)
where:
Base-Base interactions energy: -119.390
where: short stacking energy: -56.256
Base-Backbone interact. energy: -0.024
local terms energy: -71.423813
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -162.582161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.582161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.582161 (E_RNA)
where:
Base-Base interactions energy: -94.362
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.176
local terms energy: -68.043558
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -163.420114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.420114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.420114 (E_RNA)
where:
Base-Base interactions energy: -108.850
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.314
local terms energy: -54.256422
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -174.217569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217569 (E_RNA)
where:
Base-Base interactions energy: -110.442
where: short stacking energy: -40.664
Base-Backbone interact. energy: -0.068
local terms energy: -63.707372
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -154.536519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.536519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.536519 (E_RNA)
where:
Base-Base interactions energy: -92.076
where: short stacking energy: -48.116
Base-Backbone interact. energy: -0.053
local terms energy: -62.407723
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -76.210746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.210746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.210746 (E_RNA)
where:
Base-Base interactions energy: -23.875
where: short stacking energy: -21.630
Base-Backbone interact. energy: -0.100
local terms energy: -52.235551
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -3.397
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: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.667050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.667050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.667050 (E_RNA)
where:
Base-Base interactions energy: -25.446
where: short stacking energy: -25.446
Base-Backbone interact. energy: -0.023
local terms energy: -52.197145
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -2.196
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: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -241.479647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.479647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.479647 (E_RNA)
where:
Base-Base interactions energy: -162.449
where: short stacking energy: -76.369
Base-Backbone interact. energy: -0.007
local terms energy: -79.023978
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -234.637496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637496 (E_RNA)
where:
Base-Base interactions energy: -155.908
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.005
local terms energy: -78.724838
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -215.310577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310577 (E_RNA)
where:
Base-Base interactions energy: -143.717
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.143
local terms energy: -71.451258
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.010
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: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -191.067908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.067908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.067908 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -65.789
Base-Backbone interact. energy: 0.217
local terms energy: -71.233173
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -186.440430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.440430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.440430 (E_RNA)
where:
Base-Base interactions energy: -120.386
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.018
local terms energy: -66.036532
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -161.341496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.341496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.341496 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -41.316
Base-Backbone interact. energy: -0.063
local terms energy: -53.217929
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -178.748206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.748206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.748206 (E_RNA)
where:
Base-Base interactions energy: -110.251
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.072
local terms energy: -68.425545
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -152.731333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.731333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.731333 (E_RNA)
where:
Base-Base interactions energy: -92.594
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.098
local terms energy: -60.039442
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.057519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.057519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.057519 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.272
local terms energy: -44.601661
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -81.280511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280511 (E_RNA)
where:
Base-Base interactions energy: -27.110
where: short stacking energy: -25.456
Base-Backbone interact. energy: -1.232
local terms energy: -52.937961
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -241.017660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.017660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.017660 (E_RNA)
where:
Base-Base interactions energy: -166.381
where: short stacking energy: -74.959
Base-Backbone interact. energy: -0.112
local terms energy: -74.524451
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -18.481
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: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -236.139510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.139510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139510 (E_RNA)
where:
Base-Base interactions energy: -156.780
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.284
local terms energy: -79.076447
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -222.352386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352386 (E_RNA)
where:
Base-Base interactions energy: -145.076
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.049
local terms energy: -77.227232
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -178.384518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.384518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384518 (E_RNA)
where:
Base-Base interactions energy: -120.881
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.204
local terms energy: -57.299567
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -190.926572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.926572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.926572 (E_RNA)
where:
Base-Base interactions energy: -114.465
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.622
local terms energy: -75.838771
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -155.680806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.680806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.680806 (E_RNA)
where:
Base-Base interactions energy: -100.578
where: short stacking energy: -40.814
Base-Backbone interact. energy: -0.011
local terms energy: -55.090890
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -13.740
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: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -170.852062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.852062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.852062 (E_RNA)
where:
Base-Base interactions energy: -107.951
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.382
local terms energy: -62.518469
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -163.411258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.411258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.411258 (E_RNA)
where:
Base-Base interactions energy: -99.912
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.102
local terms energy: -63.396535
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -9.120
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -79.808439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808439 (E_RNA)
where:
Base-Base interactions energy: -24.692
where: short stacking energy: -23.031
Base-Backbone interact. energy: 1.025
local terms energy: -56.141897
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.279565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.279565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.279565 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.084
local terms energy: -49.409634
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -235.211609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.211609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.211609 (E_RNA)
where:
Base-Base interactions energy: -162.587
where: short stacking energy: -68.854
Base-Backbone interact. energy: -0.017
local terms energy: -72.607478
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -240.478137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.478137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.478137 (E_RNA)
where:
Base-Base interactions energy: -161.308
where: short stacking energy: -68.724
Base-Backbone interact. energy: 0.146
local terms energy: -79.316232
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -22.531
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -211.661128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.661128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661128 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.089
local terms energy: -74.029383
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -20.033
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -189.620134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620134 (E_RNA)
where:
Base-Base interactions energy: -124.890
where: short stacking energy: -47.783
Base-Backbone interact. energy: 0.285
local terms energy: -65.015656
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -13.425
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -188.116718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.116718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.116718 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.030
local terms energy: -66.385086
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -159.029955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.029955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.029955 (E_RNA)
where:
Base-Base interactions energy: -106.808
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.070
local terms energy: -52.152096
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -12.611
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: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -158.578059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.578059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.578059 (E_RNA)
where:
Base-Base interactions energy: -100.904
where: short stacking energy: -46.662
Base-Backbone interact. energy: -1.418
local terms energy: -56.256317
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -7.144
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -13.059
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -147.457613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.457613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.457613 (E_RNA)
where:
Base-Base interactions energy: -91.971
where: short stacking energy: -38.851
Base-Backbone interact. energy: 0.895
local terms energy: -56.381918
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -8.993
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: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -88.424170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424170 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -31.680
Base-Backbone interact. energy: 0.461
local terms energy: -57.204631
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -3.458
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: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -77.562861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562861 (E_RNA)
where:
Base-Base interactions energy: -25.979
where: short stacking energy: -19.700
Base-Backbone interact. energy: -1.267
local terms energy: -50.317597
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -237.342479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342479 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.024
local terms energy: -82.003342
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -21.042
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -215.480788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480788 (E_RNA)
where:
Base-Base interactions energy: -142.250
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.028
local terms energy: -73.203360
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -227.334172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.334172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.334172 (E_RNA)
where:
Base-Base interactions energy: -153.247
where: short stacking energy: -69.462
Base-Backbone interact. energy: 1.238
local terms energy: -75.324904
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -21.945
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: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -182.806444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.806444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.806444 (E_RNA)
where:
Base-Base interactions energy: -120.713
where: short stacking energy: -49.360
Base-Backbone interact. energy: -0.086
local terms energy: -62.006638
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -9.633
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: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -175.110934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.110934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.110934 (E_RNA)
where:
Base-Base interactions energy: -112.521
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.001
local terms energy: -62.589131
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -9.921
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: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -191.530129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530129 (E_RNA)
where:
Base-Base interactions energy: -120.825
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.004
local terms energy: -70.701067
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -177.672061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.672061 (E_RNA)
where:
Base-Base interactions energy: -109.099
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.099
local terms energy: -68.474198
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -156.260401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.260401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.260401 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.067
local terms energy: -67.353034
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.928
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: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -91.816596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.816596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.816596 (E_RNA)
where:
Base-Base interactions energy: -35.242
where: short stacking energy: -34.698
Base-Backbone interact. energy: -0.042
local terms energy: -56.532567
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -4.227
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: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -76.069725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.069725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.069725 (E_RNA)
where:
Base-Base interactions energy: -27.209
where: short stacking energy: -26.531
Base-Backbone interact. energy: -0.106
local terms energy: -48.754449
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -241.025938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.025938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.025938 (E_RNA)
where:
Base-Base interactions energy: -158.611
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.000
local terms energy: -82.414698
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -208.684502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684502 (E_RNA)
where:
Base-Base interactions energy: -138.172
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.000
local terms energy: -70.512448
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -221.906104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.906104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.906104 (E_RNA)
where:
Base-Base interactions energy: -147.382
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.766
local terms energy: -73.758303
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -187.816158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.816158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.816158 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.148
local terms energy: -64.317527
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -15.472
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -194.266148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.266148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.266148 (E_RNA)
where:
Base-Base interactions energy: -125.376
where: short stacking energy: -57.962
Base-Backbone interact. energy: 0.349
local terms energy: -69.239664
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -174.593769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.593769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.593769 (E_RNA)
where:
Base-Base interactions energy: -109.473
where: short stacking energy: -48.882
Base-Backbone interact. energy: -0.023
local terms energy: -65.098242
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -179.039057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.039057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.039057 (E_RNA)
where:
Base-Base interactions energy: -114.998
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.020
local terms energy: -64.020752
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.266
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -160.988961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.988961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.988961 (E_RNA)
where:
Base-Base interactions energy: -110.957
where: short stacking energy: -41.186
Base-Backbone interact. energy: -0.503
local terms energy: -49.529220
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -6.846
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.300
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: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -83.615170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.615170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.615170 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.133
local terms energy: -50.064693
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -86.170556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.170556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.170556 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -25.836
Base-Backbone interact. energy: 0.240
local terms energy: -56.579989
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -237.063637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.063637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.063637 (E_RNA)
where:
Base-Base interactions energy: -163.148
where: short stacking energy: -71.495
Base-Backbone interact. energy: -0.060
local terms energy: -73.855933
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -232.917792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.917792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.917792 (E_RNA)
where:
Base-Base interactions energy: -160.946
where: short stacking energy: -68.507
Base-Backbone interact. energy: -0.006
local terms energy: -71.965651
where:
bonds (distance) C4'-P energy: -6.925
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.712
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: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -201.738982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.738982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.738982 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.151
local terms energy: -73.012841
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -17.413
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: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -179.624942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.624942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.624942 (E_RNA)
where:
Base-Base interactions energy: -116.500
where: short stacking energy: -45.972
Base-Backbone interact. energy: -0.560
local terms energy: -62.564971
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -12.240
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -183.482093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.482093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.482093 (E_RNA)
where:
Base-Base interactions energy: -117.154
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.127
local terms energy: -66.200978
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -12.031
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: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -217.679728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.679728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.679728 (E_RNA)
where:
Base-Base interactions energy: -150.511
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.013
local terms energy: -67.155675
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -181.738385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.738385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.738385 (E_RNA)
where:
Base-Base interactions energy: -114.652
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.406
local terms energy: -66.680899
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.321
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: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -155.302058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.302058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.302058 (E_RNA)
where:
Base-Base interactions energy: -91.211
where: short stacking energy: -42.218
Base-Backbone interact. energy: -0.002
local terms energy: -64.089207
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -79.001453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.001453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.001453 (E_RNA)
where:
Base-Base interactions energy: -28.692
where: short stacking energy: -28.692
Base-Backbone interact. energy: -0.198
local terms energy: -50.111453
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.311508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311508 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.035
local terms energy: -48.336183
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -234.317693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.317693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.317693 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -74.147
Base-Backbone interact. energy: 2.993
local terms energy: -79.620902
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -22.195
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -235.838017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.838017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.838017 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.013
local terms energy: -82.626053
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -192.251614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.251614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.251614 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.225
local terms energy: -77.070329
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -192.614675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.614675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.614675 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.370
local terms energy: -63.198662
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -222.324401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324401 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.001
local terms energy: -73.283416
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -19.038
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: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -182.134844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.134844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.134844 (E_RNA)
where:
Base-Base interactions energy: -118.653
where: short stacking energy: -57.361
Base-Backbone interact. energy: -0.468
local terms energy: -63.014007
where:
bonds (distance) C4'-P energy: -6.175
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -172.049702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.049702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.049702 (E_RNA)
where:
Base-Base interactions energy: -108.108
where: short stacking energy: -45.490
Base-Backbone interact. energy: -0.002
local terms energy: -63.939958
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -162.552881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.552881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.552881 (E_RNA)
where:
Base-Base interactions energy: -105.294
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.679
local terms energy: -56.580440
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -11.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.137325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137325 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.401
local terms energy: -47.160037
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -75.989848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.989848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.989848 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.085
local terms energy: -36.084833
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -2.867
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -236.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.106688 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.006
local terms energy: -77.774385
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -230.460200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.460200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.460200 (E_RNA)
where:
Base-Base interactions energy: -155.974
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.044
local terms energy: -74.442053
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -198.187940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.187940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.187940 (E_RNA)
where:
Base-Base interactions energy: -135.023
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.056
local terms energy: -63.109165
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -216.475661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.475661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475661 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -54.642
Base-Backbone interact. energy: -0.242
local terms energy: -78.375396
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -19.459
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: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -180.865148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.865148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.865148 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.838
local terms energy: -61.755701
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -181.425938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.425938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.425938 (E_RNA)
where:
Base-Base interactions energy: -116.119
where: short stacking energy: -54.379
Base-Backbone interact. energy: -1.833
local terms energy: -63.474473
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -178.874808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.874808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.874808 (E_RNA)
where:
Base-Base interactions energy: -120.270
where: short stacking energy: -50.643
Base-Backbone interact. energy: 0.685
local terms energy: -59.289874
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -168.277058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.277058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.277058 (E_RNA)
where:
Base-Base interactions energy: -107.449
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.033
local terms energy: -60.795606
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -11.639
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: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -78.131859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.131859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.131859 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -25.119
Base-Backbone interact. energy: -0.049
local terms energy: -48.052352
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -83.860466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.860466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.860466 (E_RNA)
where:
Base-Base interactions energy: -43.117
where: short stacking energy: -30.830
Base-Backbone interact. energy: 0.060
local terms energy: -40.802914
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -6.353
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -238.608772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608772 (E_RNA)
where:
Base-Base interactions energy: -162.967
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.007
local terms energy: -75.634326
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -20.863
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -232.590016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.590016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.590016 (E_RNA)
where:
Base-Base interactions energy: -149.550
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.099
local terms energy: -82.941508
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -229.148191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.148191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.148191 (E_RNA)
where:
Base-Base interactions energy: -154.628
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.038
local terms energy: -74.482726
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -195.014759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.014759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.014759 (E_RNA)
where:
Base-Base interactions energy: -126.186
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.309
local terms energy: -68.520027
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -18.527
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: 54
Temperature: 1.100000
Total energy: -177.077817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.077817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.077817 (E_RNA)
where:
Base-Base interactions energy: -113.401
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.656
local terms energy: -63.020323
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.914
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: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -174.876078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.876078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.876078 (E_RNA)
where:
Base-Base interactions energy: -117.436
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.290
local terms energy: -57.149590
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -148.106110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.106110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.106110 (E_RNA)
where:
Base-Base interactions energy: -104.148
where: short stacking energy: -47.949
Base-Backbone interact. energy: -0.006
local terms energy: -43.952365
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -1.599
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -150.614981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.614981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.614981 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.298
local terms energy: -56.384439
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -79.985310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985310 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -27.349
Base-Backbone interact. energy: -0.193
local terms energy: -43.995097
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -77.238859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.238859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.238859 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.126
local terms energy: -42.124534
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -240.451610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.451610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.451610 (E_RNA)
where:
Base-Base interactions energy: -160.343
where: short stacking energy: -76.025
Base-Backbone interact. energy: -0.001
local terms energy: -80.108012
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -227.843550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.843550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.843550 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -61.724
Base-Backbone interact. energy: -0.021
local terms energy: -75.663301
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.116
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: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -232.602911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.602911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.602911 (E_RNA)
where:
Base-Base interactions energy: -157.913
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.004
local terms energy: -74.685368
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -197.716723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.716723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.716723 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.615
local terms energy: -70.094456
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -188.359224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.359224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.359224 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -51.242
Base-Backbone interact. energy: 0.854
local terms energy: -66.478047
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -159.749503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.749503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.749503 (E_RNA)
where:
Base-Base interactions energy: -107.435
where: short stacking energy: -45.846
Base-Backbone interact. energy: -0.520
local terms energy: -51.794402
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -117.117380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.117380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.117380 (E_RNA)
where:
Base-Base interactions energy: -65.380
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.183
local terms energy: -51.554314
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -143.317997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.317997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.317997 (E_RNA)
where:
Base-Base interactions energy: -89.559
where: short stacking energy: -44.265
Base-Backbone interact. energy: -0.291
local terms energy: -53.468513
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -9.391
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: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -82.058672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.058672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.058672 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -25.411
Base-Backbone interact. energy: 0.273
local terms energy: -45.450685
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -76.586270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.586270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.586270 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.072
local terms energy: -42.702093
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -238.520587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.520587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.520587 (E_RNA)
where:
Base-Base interactions energy: -153.338
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.017
local terms energy: -85.165140
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -239.710787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.710787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.710787 (E_RNA)
where:
Base-Base interactions energy: -155.836
where: short stacking energy: -73.285
Base-Backbone interact. energy: 0.213
local terms energy: -84.087851
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -231.126716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.126716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.126716 (E_RNA)
where:
Base-Base interactions energy: -155.122
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.088
local terms energy: -75.916747
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -18.044
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: 56
Temperature: 1.050000
Total energy: -192.538719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.538719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.538719 (E_RNA)
where:
Base-Base interactions energy: -119.511
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.123
local terms energy: -72.904802
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -152.336244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.336244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.336244 (E_RNA)
where:
Base-Base interactions energy: -94.754
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.733
local terms energy: -56.848676
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -172.215049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215049 (E_RNA)
where:
Base-Base interactions energy: -109.522
where: short stacking energy: -48.116
Base-Backbone interact. energy: -0.081
local terms energy: -62.612477
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -134.546148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.546148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.546148 (E_RNA)
where:
Base-Base interactions energy: -72.730
where: short stacking energy: -43.665
Base-Backbone interact. energy: -0.049
local terms energy: -61.767529
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -94.291988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.291988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.291988 (E_RNA)
where:
Base-Base interactions energy: -44.896
where: short stacking energy: -19.442
Base-Backbone interact. energy: -0.821
local terms energy: -48.575287
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: 1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -79.614862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.614862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.614862 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.658
local terms energy: -43.075662
where:
bonds (distance) C4'-P energy: -5.689
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -2.842
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.640328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.640328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.640328 (E_RNA)
where:
Base-Base interactions energy: -20.224
where: short stacking energy: -15.566
Base-Backbone interact. energy: -0.110
local terms energy: -57.306279
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -233.951043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.951043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.951043 (E_RNA)
where:
Base-Base interactions energy: -156.787
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.007
local terms energy: -77.156686
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -239.400535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.400535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.400535 (E_RNA)
where:
Base-Base interactions energy: -167.746
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.006
local terms energy: -71.648750
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -232.586667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.586667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.586667 (E_RNA)
where:
Base-Base interactions energy: -147.543
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.042
local terms energy: -85.001825
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -199.543120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543120 (E_RNA)
where:
Base-Base interactions energy: -128.497
where: short stacking energy: -54.187
Base-Backbone interact. energy: -1.251
local terms energy: -69.794260
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -158.534121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.534121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.534121 (E_RNA)
where:
Base-Base interactions energy: -109.281
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.268
local terms energy: -48.984728
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -163.064129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.064129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.064129 (E_RNA)
where:
Base-Base interactions energy: -97.505
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.001
local terms energy: -65.558126
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -13.443
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -86.737676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.737676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.737676 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -20.819
Base-Backbone interact. energy: -0.930
local terms energy: -49.254652
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -101.191935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.191935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.191935 (E_RNA)
where:
Base-Base interactions energy: -55.767
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.421
local terms energy: -45.003321
where:
bonds (distance) C4'-P energy: -4.832
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -2.364
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -85.944082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944082 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -16.988
Base-Backbone interact. energy: 0.058
local terms energy: -47.223020
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -87.863195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.863195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.863195 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.014
local terms energy: -55.217762
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -3.176
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: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -239.350561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350561 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.006
local terms energy: -79.007093
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -237.380126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.380126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.380126 (E_RNA)
where:
Base-Base interactions energy: -159.148
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.003
local terms energy: -78.228980
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -239.208869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.208869 (E_RNA)
where:
Base-Base interactions energy: -162.188
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.070
local terms energy: -76.951592
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -192.351906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.351906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.351906 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.852
local terms energy: -73.682383
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -193.564628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.564628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.564628 (E_RNA)
where:
Base-Base interactions energy: -132.026
where: short stacking energy: -45.465
Base-Backbone interact. energy: 0.523
local terms energy: -62.061286
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -161.087297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.087297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.087297 (E_RNA)
where:
Base-Base interactions energy: -99.428
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.357
local terms energy: -61.302207
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -81.611427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.611427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.611427 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -19.559
Base-Backbone interact. energy: -0.574
local terms energy: -45.935119
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: 2.079
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: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -95.032757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.032757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.032757 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -42.173
Base-Backbone interact. energy: -0.159
local terms energy: -52.505109
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -8.984
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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.893847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.893847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.893847 (E_RNA)
where:
Base-Base interactions energy: -37.839
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.137
local terms energy: -45.917361
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -83.670463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670463 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -31.614
Base-Backbone interact. energy: -0.668
local terms energy: -51.388212
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -7.328
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: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -242.298613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.298613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.298613 (E_RNA)
where:
Base-Base interactions energy: -168.813
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.031
local terms energy: -73.454689
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -234.853176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.853176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.853176 (E_RNA)
where:
Base-Base interactions energy: -161.095
where: short stacking energy: -70.632
Base-Backbone interact. energy: -0.024
local terms energy: -73.733727
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -230.014910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.014910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.014910 (E_RNA)
where:
Base-Base interactions energy: -154.184
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.020
local terms energy: -75.810890
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -21.673
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -201.083362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.083362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.083362 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -57.611
Base-Backbone interact. energy: 0.710
local terms energy: -67.354015
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.498
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: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -184.071695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.071695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.071695 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -53.856
Base-Backbone interact. energy: -0.054
local terms energy: -63.462698
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -201.647955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.647955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.647955 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.112
local terms energy: -61.843806
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -18.896
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -92.020337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.020337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.020337 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.399
local terms energy: -43.713132
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -10.337
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: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -86.362188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.362188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.362188 (E_RNA)
where:
Base-Base interactions energy: -28.702
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.195
local terms energy: -57.465094
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -10.224
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: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -97.677916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.677916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.677916 (E_RNA)
where:
Base-Base interactions energy: -39.407
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.417
local terms energy: -57.854091
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -6.754
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: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.788668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.788668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.788668 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.071
local terms energy: -48.810865
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -243.544057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.544057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.544057 (E_RNA)
where:
Base-Base interactions energy: -165.229
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.138
local terms energy: -78.176982
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -23.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -240.869296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.869296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.869296 (E_RNA)
where:
Base-Base interactions energy: -162.474
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.001
local terms energy: -78.394307
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -232.111078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.111078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.111078 (E_RNA)
where:
Base-Base interactions energy: -154.772
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.002
local terms energy: -77.337249
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -20.061
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -194.847609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.847609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847609 (E_RNA)
where:
Base-Base interactions energy: -135.532
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.918
local terms energy: -58.397470
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -9.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -194.608588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.608588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608588 (E_RNA)
where:
Base-Base interactions energy: -118.136
where: short stacking energy: -53.565
Base-Backbone interact. energy: -0.107
local terms energy: -76.364625
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -171.422377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.422377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.422377 (E_RNA)
where:
Base-Base interactions energy: -101.803
where: short stacking energy: -42.280
Base-Backbone interact. energy: -0.120
local terms energy: -69.499551
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -11.365
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -99.572846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.572846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.572846 (E_RNA)
where:
Base-Base interactions energy: -45.815
where: short stacking energy: -35.940
Base-Backbone interact. energy: 0.472
local terms energy: -54.230205
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -89.137044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137044 (E_RNA)
where:
Base-Base interactions energy: -34.476
where: short stacking energy: -34.476
Base-Backbone interact. energy: 0.384
local terms energy: -55.044218
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -81.019511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.019511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.019511 (E_RNA)
where:
Base-Base interactions energy: -25.862
where: short stacking energy: -25.879
Base-Backbone interact. energy: -0.402
local terms energy: -54.754836
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.135163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.135163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.135163 (E_RNA)
where:
Base-Base interactions energy: -30.371
where: short stacking energy: -30.371
Base-Backbone interact. energy: -0.101
local terms energy: -51.663833
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -235.445096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.445096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.445096 (E_RNA)
where:
Base-Base interactions energy: -160.450
where: short stacking energy: -71.860
Base-Backbone interact. energy: -0.172
local terms energy: -74.823590
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -18.772
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: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -237.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.668414 (E_RNA)
where:
Base-Base interactions energy: -160.256
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.003
local terms energy: -77.409986
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -220.872514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.872514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.872514 (E_RNA)
where:
Base-Base interactions energy: -147.737
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.128
local terms energy: -73.007959
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -197.390408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.390408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.390408 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -59.036
Base-Backbone interact. energy: -0.179
local terms energy: -60.144573
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -190.422889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.422889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.422889 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.020
local terms energy: -71.516897
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -187.248413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.248413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.248413 (E_RNA)
where:
Base-Base interactions energy: -115.294
where: short stacking energy: -50.006
Base-Backbone interact. energy: -1.085
local terms energy: -70.870384
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -109.632486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.632486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.632486 (E_RNA)
where:
Base-Base interactions energy: -52.958
where: short stacking energy: -29.688
Base-Backbone interact. energy: -1.657
local terms energy: -55.017622
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.870564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.870564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.870564 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -38.835
Base-Backbone interact. energy: -0.239
local terms energy: -55.796407
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -81.459695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459695 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -25.625
Base-Backbone interact. energy: -0.137
local terms energy: -48.643559
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -72.188981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.188981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.188981 (E_RNA)
where:
Base-Base interactions energy: -28.506
where: short stacking energy: -28.270
Base-Backbone interact. energy: 2.786
local terms energy: -46.469003
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -235.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.258943 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.309
local terms energy: -78.806272
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.628
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: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -237.754050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.754050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.754050 (E_RNA)
where:
Base-Base interactions energy: -159.106
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.428
local terms energy: -78.220104
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -23.062
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -227.121677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.121677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.121677 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -64.880
Base-Backbone interact. energy: -0.110
local terms energy: -74.797217
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -204.138714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.138714 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -54.450
Base-Backbone interact. energy: -1.670
local terms energy: -67.856736
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -16.064
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: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -180.584217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.584217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.584217 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -54.607
Base-Backbone interact. energy: -0.005
local terms energy: -69.589063
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -15.770
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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -180.294790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.294790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.294790 (E_RNA)
where:
Base-Base interactions energy: -116.459
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.136
local terms energy: -63.699276
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -6.342
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: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -102.042417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.042417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.042417 (E_RNA)
where:
Base-Base interactions energy: -40.478
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.453
local terms energy: -61.111676
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -95.242527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242527 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.165
local terms energy: -58.168072
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -5.852
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -84.563688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.563688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.563688 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -23.717
Base-Backbone interact. energy: -0.413
local terms energy: -49.463280
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -0.291
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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -71.997263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.997263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.997263 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -17.091
Base-Backbone interact. energy: -0.099
local terms energy: -41.681969
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -1.445
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: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -236.528216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.528216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.528216 (E_RNA)
where:
Base-Base interactions energy: -161.263
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.000
local terms energy: -75.264517
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -224.429282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.429282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.429282 (E_RNA)
where:
Base-Base interactions energy: -148.483
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.006
local terms energy: -75.940356
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -224.765001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.765001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.765001 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.003
local terms energy: -73.848749
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -17.144
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: 63
Temperature: 1.050000
Total energy: -189.602935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.602935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.602935 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -55.053
Base-Backbone interact. energy: -1.148
local terms energy: -67.681407
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -173.548492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.548492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.548492 (E_RNA)
where:
Base-Base interactions energy: -120.067
where: short stacking energy: -46.063
Base-Backbone interact. energy: -1.169
local terms energy: -52.312431
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -184.134080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.134080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.134080 (E_RNA)
where:
Base-Base interactions energy: -113.782
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.123
local terms energy: -70.229392
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -93.846196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.846196 (E_RNA)
where:
Base-Base interactions energy: -37.883
where: short stacking energy: -34.951
Base-Backbone interact. energy: -0.092
local terms energy: -55.870322
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -6.474
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -83.205102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.205102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.205102 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -22.448
Base-Backbone interact. energy: -0.100
local terms energy: -48.210653
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -109.427576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.427576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.427576 (E_RNA)
where:
Base-Base interactions energy: -52.042
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.180
local terms energy: -57.205275
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.634
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: 63
Temperature: 1.350000
Total energy: -79.184276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.184276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.184276 (E_RNA)
where:
Base-Base interactions energy: -26.584
where: short stacking energy: -27.184
Base-Backbone interact. energy: -0.390
local terms energy: -52.210436
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -244.624680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.624680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.624680 (E_RNA)
where:
Base-Base interactions energy: -168.634
where: short stacking energy: -71.281
Base-Backbone interact. energy: 0.148
local terms energy: -76.138797
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -233.963643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.963643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.963643 (E_RNA)
where:
Base-Base interactions energy: -166.669
where: short stacking energy: -75.533
Base-Backbone interact. energy: -0.001
local terms energy: -67.293355
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -5.062
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -227.981814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.981814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.981814 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.057
local terms energy: -76.517606
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -199.516853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.516853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.516853 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -60.760
Base-Backbone interact. energy: -1.595
local terms energy: -73.928150
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -188.262857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.262857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.262857 (E_RNA)
where:
Base-Base interactions energy: -111.412
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.073
local terms energy: -76.777929
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -166.912264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.912264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.912264 (E_RNA)
where:
Base-Base interactions energy: -108.979
where: short stacking energy: -34.261
Base-Backbone interact. energy: -0.623
local terms energy: -57.310258
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -93.205957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.205957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.205957 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.166
local terms energy: -48.571257
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -9.326
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: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -86.508088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508088 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.275
local terms energy: -51.549880
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -77.460083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.460083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.460083 (E_RNA)
where:
Base-Base interactions energy: -28.214
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.187
local terms energy: -49.058952
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -5.703
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: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.354992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.354992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.354992 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -22.329
Base-Backbone interact. energy: 1.575
local terms energy: -45.092045
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: 4.628
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -240.503943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503943 (E_RNA)
where:
Base-Base interactions energy: -159.694
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.002
local terms energy: -80.808496
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -234.931240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.931240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.931240 (E_RNA)
where:
Base-Base interactions energy: -155.562
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.022
local terms energy: -79.346880
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -232.697580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.697580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.697580 (E_RNA)
where:
Base-Base interactions energy: -156.553
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.000
local terms energy: -76.144615
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -197.791418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.791418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.791418 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -66.242
Base-Backbone interact. energy: 0.623
local terms energy: -73.042403
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -197.694354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.694354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.694354 (E_RNA)
where:
Base-Base interactions energy: -133.744
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.046
local terms energy: -63.904214
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -14.947
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -162.252229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.252229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.252229 (E_RNA)
where:
Base-Base interactions energy: -102.272
where: short stacking energy: -43.751
Base-Backbone interact. energy: -0.017
local terms energy: -59.963494
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -10.500
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: 65
Temperature: 1.200000
Total energy: -87.662340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662340 (E_RNA)
where:
Base-Base interactions energy: -45.382
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.331
local terms energy: -41.949339
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -1.320
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -81.539880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.539880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.539880 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -37.374
Base-Backbone interact. energy: 0.114
local terms energy: -44.279774
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -74.979103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.979103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.979103 (E_RNA)
where:
Base-Base interactions energy: -27.541
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.606
local terms energy: -46.831543
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -79.926287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926287 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -15.946
Base-Backbone interact. energy: -0.164
local terms energy: -41.370624
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -247.520699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.520699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.520699 (E_RNA)
where:
Base-Base interactions energy: -166.747
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.000
local terms energy: -80.773063
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -243.800929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.800929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.800929 (E_RNA)
where:
Base-Base interactions energy: -163.670
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.007
local terms energy: -80.123841
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -230.652239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.652239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.652239 (E_RNA)
where:
Base-Base interactions energy: -158.096
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.055
local terms energy: -72.500849
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -22.076
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -193.304737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304737 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -54.818
Base-Backbone interact. energy: 1.146
local terms energy: -69.242845
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -174.313517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.313517 (E_RNA)
where:
Base-Base interactions energy: -104.145
where: short stacking energy: -49.781
Base-Backbone interact. energy: -1.560
local terms energy: -68.608362
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -194.231358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.231358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.231358 (E_RNA)
where:
Base-Base interactions energy: -124.208
where: short stacking energy: -52.655
Base-Backbone interact. energy: -0.623
local terms energy: -69.400617
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -93.816732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.816732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.816732 (E_RNA)
where:
Base-Base interactions energy: -35.416
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.084
local terms energy: -58.317417
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -84.819116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.819116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.819116 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -18.848
Base-Backbone interact. energy: -0.555
local terms energy: -43.245214
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -87.954161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954161 (E_RNA)
where:
Base-Base interactions energy: -30.764
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.108
local terms energy: -57.082132
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -78.112335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.112335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.112335 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.214
local terms energy: -45.142000
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: 3.766
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: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -238.849210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.849210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.849210 (E_RNA)
where:
Base-Base interactions energy: -163.007
where: short stacking energy: -65.293
Base-Backbone interact. energy: 2.646
local terms energy: -78.487954
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.560
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: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -236.327811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.327811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.327811 (E_RNA)
where:
Base-Base interactions energy: -159.513
where: short stacking energy: -71.437
Base-Backbone interact. energy: -0.012
local terms energy: -76.802628
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -227.091604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091604 (E_RNA)
where:
Base-Base interactions energy: -152.341
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.319
local terms energy: -74.431929
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -198.446120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.446120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.446120 (E_RNA)
where:
Base-Base interactions energy: -126.113
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.100
local terms energy: -72.232684
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -187.090714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.090714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.090714 (E_RNA)
where:
Base-Base interactions energy: -117.441
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.014
local terms energy: -69.635284
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -16.103
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: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -182.313727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.313727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.313727 (E_RNA)
where:
Base-Base interactions energy: -121.344
where: short stacking energy: -50.700
Base-Backbone interact. energy: -0.026
local terms energy: -60.942923
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -13.892
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: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -84.199505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.199505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.199505 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -25.959
Base-Backbone interact. energy: -0.379
local terms energy: -53.016288
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -115.291913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.291913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.291913 (E_RNA)
where:
Base-Base interactions energy: -67.237
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.146
local terms energy: -47.909123
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -4.093
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -84.275850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.275850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.275850 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -22.603
Base-Backbone interact. energy: -0.335
local terms energy: -52.596485
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.401679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.401679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.401679 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.000
local terms energy: -52.446000
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -234.669238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.669238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.669238 (E_RNA)
where:
Base-Base interactions energy: -167.599
where: short stacking energy: -73.935
Base-Backbone interact. energy: -0.240
local terms energy: -66.830317
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -235.745719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.745719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.745719 (E_RNA)
where:
Base-Base interactions energy: -158.767
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.231
local terms energy: -76.748113
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -228.945894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.945894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.945894 (E_RNA)
where:
Base-Base interactions energy: -153.395
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.145
local terms energy: -75.405428
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -189.300073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.300073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.300073 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -50.722
Base-Backbone interact. energy: 1.954
local terms energy: -76.987337
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -14.420
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -209.870920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870920 (E_RNA)
where:
Base-Base interactions energy: -132.775
where: short stacking energy: -58.661
Base-Backbone interact. energy: -2.057
local terms energy: -75.038590
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -188.858708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.858708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.858708 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.065
local terms energy: -64.796254
where:
bonds (distance) C4'-P energy: -6.771
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -121.365815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.365815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.365815 (E_RNA)
where:
Base-Base interactions energy: -65.427
where: short stacking energy: -34.565
Base-Backbone interact. energy: -0.214
local terms energy: -55.724865
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.239
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: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -86.494287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494287 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.285
local terms energy: -54.990978
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.043999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.043999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.043999 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.169
local terms energy: -50.704594
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -74.182828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.182828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.182828 (E_RNA)
where:
Base-Base interactions energy: -22.219
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.110
local terms energy: -51.854131
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -2.708
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: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -235.856624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.856624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.856624 (E_RNA)
where:
Base-Base interactions energy: -162.504
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.002
local terms energy: -73.351572
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -227.725594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.725594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.725594 (E_RNA)
where:
Base-Base interactions energy: -160.854
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.227
local terms energy: -66.645112
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -232.032315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.032315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.032315 (E_RNA)
where:
Base-Base interactions energy: -156.268
where: short stacking energy: -69.400
Base-Backbone interact. energy: -0.249
local terms energy: -75.514966
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -19.767
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: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -200.774987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.774987 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.172
local terms energy: -77.800030
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -179.779894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.779894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.779894 (E_RNA)
where:
Base-Base interactions energy: -107.900
where: short stacking energy: -48.434
Base-Backbone interact. energy: -0.134
local terms energy: -71.745852
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -181.720510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.720510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.720510 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.002
local terms energy: -68.219447
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -144.495123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.495123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.495123 (E_RNA)
where:
Base-Base interactions energy: -83.895
where: short stacking energy: -41.985
Base-Backbone interact. energy: 0.758
local terms energy: -61.358111
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.795
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -111.128966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.128966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.128966 (E_RNA)
where:
Base-Base interactions energy: -55.226
where: short stacking energy: -29.820
Base-Backbone interact. energy: 0.982
local terms energy: -56.885469
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -79.517832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517832 (E_RNA)
where:
Base-Base interactions energy: -28.305
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.249
local terms energy: -50.964103
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -80.328202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.328202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.328202 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.004
local terms energy: -49.250880
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -231.038562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.038562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.038562 (E_RNA)
where:
Base-Base interactions energy: -153.912
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.140
local terms energy: -76.986189
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -233.085733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.085733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.085733 (E_RNA)
where:
Base-Base interactions energy: -158.084
where: short stacking energy: -54.501
Base-Backbone interact. energy: -1.372
local terms energy: -73.629567
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -17.479
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: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -213.939465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.939465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.939465 (E_RNA)
where:
Base-Base interactions energy: -142.070
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.621
local terms energy: -71.248840
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -225.121153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121153 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.088
local terms energy: -72.194597
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -185.154040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.154040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.154040 (E_RNA)
where:
Base-Base interactions energy: -113.283
where: short stacking energy: -47.938
Base-Backbone interact. energy: -1.171
local terms energy: -70.699883
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -14.801
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -186.305390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.305390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.305390 (E_RNA)
where:
Base-Base interactions energy: -113.540
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.007
local terms energy: -72.758570
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -18.719
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: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -130.254734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.254734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.254734 (E_RNA)
where:
Base-Base interactions energy: -79.664
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.155
local terms energy: -50.436265
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -5.300
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -127.364259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.364259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.364259 (E_RNA)
where:
Base-Base interactions energy: -76.382
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.403
local terms energy: -50.579599
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -84.775633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775633 (E_RNA)
where:
Base-Base interactions energy: -45.764
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.895
local terms energy: -38.116523
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -73.343759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.343759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.343759 (E_RNA)
where:
Base-Base interactions energy: -31.373
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.028
local terms energy: -41.943492
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -5.697
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: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -237.253441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.253441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.253441 (E_RNA)
where:
Base-Base interactions energy: -162.822
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.014
local terms energy: -74.417692
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -214.005245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.005245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.005245 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.014
local terms energy: -76.183837
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -232.861202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.861202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.861202 (E_RNA)
where:
Base-Base interactions energy: -163.617
where: short stacking energy: -71.083
Base-Backbone interact. energy: -0.066
local terms energy: -69.178379
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -220.922162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.922162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.922162 (E_RNA)
where:
Base-Base interactions energy: -147.933
where: short stacking energy: -58.466
Base-Backbone interact. energy: 1.198
local terms energy: -74.187156
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -182.423618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.423618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.423618 (E_RNA)
where:
Base-Base interactions energy: -117.050
where: short stacking energy: -52.426
Base-Backbone interact. energy: 0.004
local terms energy: -65.377337
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -12.752
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: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -177.345247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.345247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.345247 (E_RNA)
where:
Base-Base interactions energy: -113.156
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.042
local terms energy: -64.147577
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -10.334
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -133.320393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.320393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.320393 (E_RNA)
where:
Base-Base interactions energy: -80.710
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.325
local terms energy: -52.285124
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -3.081
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: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -84.506303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506303 (E_RNA)
where:
Base-Base interactions energy: -27.231
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.336
local terms energy: -56.938817
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -134.155628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.155628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.155628 (E_RNA)
where:
Base-Base interactions energy: -80.176
where: short stacking energy: -40.912
Base-Backbone interact. energy: 0.088
local terms energy: -54.067162
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -6.817
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: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -86.901489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901489 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.100
local terms energy: -59.055891
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -11.043
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: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -238.750750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.750750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.750750 (E_RNA)
where:
Base-Base interactions energy: -159.508
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.009
local terms energy: -79.234637
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -216.247023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.247023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.247023 (E_RNA)
where:
Base-Base interactions energy: -143.145
where: short stacking energy: -65.277
Base-Backbone interact. energy: -1.000
local terms energy: -72.102413
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -232.515783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515783 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.003
local terms energy: -74.187875
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -230.768513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768513 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -63.319
Base-Backbone interact. energy: 1.060
local terms energy: -81.787342
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -18.585
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: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -198.658617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.658617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.658617 (E_RNA)
where:
Base-Base interactions energy: -132.012
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.012
local terms energy: -66.634412
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -174.117661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.117661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.117661 (E_RNA)
where:
Base-Base interactions energy: -109.332
where: short stacking energy: -43.116
Base-Backbone interact. energy: -0.196
local terms energy: -64.589105
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -12.583
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: 72
Temperature: 1.200000
Total energy: -161.385741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385741 (E_RNA)
where:
Base-Base interactions energy: -102.588
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.551
local terms energy: -58.246888
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -89.346395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346395 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.779
local terms energy: -52.982751
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -115.070280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.070280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.070280 (E_RNA)
where:
Base-Base interactions energy: -74.435
where: short stacking energy: -24.735
Base-Backbone interact. energy: 0.052
local terms energy: -40.687704
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -91.556476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.556476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.556476 (E_RNA)
where:
Base-Base interactions energy: -27.123
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.034
local terms energy: -64.398789
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -241.709458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.709458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.709458 (E_RNA)
where:
Base-Base interactions energy: -160.268
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.319
local terms energy: -81.122029
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -21.301
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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -231.045645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.045645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.045645 (E_RNA)
where:
Base-Base interactions energy: -158.334
where: short stacking energy: -70.109
Base-Backbone interact. energy: -0.012
local terms energy: -72.699511
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -213.265849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.265849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.265849 (E_RNA)
where:
Base-Base interactions energy: -146.358
where: short stacking energy: -65.973
Base-Backbone interact. energy: -0.759
local terms energy: -66.149160
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -218.185904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185904 (E_RNA)
where:
Base-Base interactions energy: -144.239
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.038
local terms energy: -73.908281
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -180.789269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.789269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.789269 (E_RNA)
where:
Base-Base interactions energy: -115.265
where: short stacking energy: -56.888
Base-Backbone interact. energy: -0.556
local terms energy: -64.968346
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -185.424607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424607 (E_RNA)
where:
Base-Base interactions energy: -120.694
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.073
local terms energy: -64.656840
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -15.711
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: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -148.018076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.018076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.018076 (E_RNA)
where:
Base-Base interactions energy: -94.527
where: short stacking energy: -36.376
Base-Backbone interact. energy: 4.241
local terms energy: -57.731795
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -89.514394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514394 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.599
local terms energy: -50.864810
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -87.481571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481571 (E_RNA)
where:
Base-Base interactions energy: -28.946
where: short stacking energy: -28.946
Base-Backbone interact. energy: -0.031
local terms energy: -58.504715
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -76.992342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992342 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -33.842
Base-Backbone interact. energy: -0.245
local terms energy: -42.905681
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -4.023
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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -236.568198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.568198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.568198 (E_RNA)
where:
Base-Base interactions energy: -157.924
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.008
local terms energy: -78.636571
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.797
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: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -238.470202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.470202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.470202 (E_RNA)
where:
Base-Base interactions energy: -162.753
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.011
local terms energy: -75.706777
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -20.410
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -235.625860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.625860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.625860 (E_RNA)
where:
Base-Base interactions energy: -157.258
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.112
local terms energy: -78.255574
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -21.556
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -193.136683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.136683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.136683 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -50.462
Base-Backbone interact. energy: -0.066
local terms energy: -70.702821
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -187.195887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.195887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.195887 (E_RNA)
where:
Base-Base interactions energy: -121.063
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.086
local terms energy: -66.046813
where:
bonds (distance) C4'-P energy: -6.077
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -17.335
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: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -179.349089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.349089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.349089 (E_RNA)
where:
Base-Base interactions energy: -115.593
where: short stacking energy: -54.262
Base-Backbone interact. energy: 0.092
local terms energy: -63.848295
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -13.689
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -145.102126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.102126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.102126 (E_RNA)
where:
Base-Base interactions energy: -88.239
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.045
local terms energy: -56.817952
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -6.210
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -81.983227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983227 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -26.051
Base-Backbone interact. energy: 0.487
local terms energy: -52.077984
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -82.474059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.474059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.474059 (E_RNA)
where:
Base-Base interactions energy: -31.118
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.203
local terms energy: -51.153245
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -73.536138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.536138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.536138 (E_RNA)
where:
Base-Base interactions energy: -22.000
where: short stacking energy: -19.736
Base-Backbone interact. energy: -0.344
local terms energy: -51.192504
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -1.010
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: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -241.906207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.906207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.906207 (E_RNA)
where:
Base-Base interactions energy: -159.712
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.008
local terms energy: -82.186243
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -23.200
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: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -237.792875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.792875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.792875 (E_RNA)
where:
Base-Base interactions energy: -158.883
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.611
local terms energy: -78.298878
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -229.466164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.466164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.466164 (E_RNA)
where:
Base-Base interactions energy: -153.124
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.045
local terms energy: -76.297619
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -18.457
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: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -176.943482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.943482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943482 (E_RNA)
where:
Base-Base interactions energy: -100.888
where: short stacking energy: -53.717
Base-Backbone interact. energy: -0.063
local terms energy: -75.991780
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -186.782770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.782770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.782770 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.794
local terms energy: -69.245126
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -15.912
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: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -149.723235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.723235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.723235 (E_RNA)
where:
Base-Base interactions energy: -90.073
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.180
local terms energy: -59.470754
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -177.190116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.190116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.190116 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.169
local terms energy: -68.493247
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -82.491524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491524 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.159
local terms energy: -56.596341
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -89.309558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309558 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.044
local terms energy: -54.333976
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -86.054726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054726 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.052
local terms energy: -52.984212
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -243.567764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.567764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.567764 (E_RNA)
where:
Base-Base interactions energy: -166.634
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.004
local terms energy: -76.930392
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -234.623387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.623387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.623387 (E_RNA)
where:
Base-Base interactions energy: -159.593
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.009
local terms energy: -75.021427
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.775
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: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -226.790468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.790468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.790468 (E_RNA)
where:
Base-Base interactions energy: -157.457
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.101
local terms energy: -69.232211
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -18.717
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: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -198.343092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.343092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.343092 (E_RNA)
where:
Base-Base interactions energy: -136.065
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.219
local terms energy: -62.059222
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -186.789881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.789881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.789881 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.100
local terms energy: -66.110228
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -164.957074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957074 (E_RNA)
where:
Base-Base interactions energy: -103.108
where: short stacking energy: -47.448
Base-Backbone interact. energy: -0.155
local terms energy: -61.693945
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -165.110649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.110649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.110649 (E_RNA)
where:
Base-Base interactions energy: -104.246
where: short stacking energy: -48.110
Base-Backbone interact. energy: 0.924
local terms energy: -61.788811
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.934
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: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -82.408373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.408373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.408373 (E_RNA)
where:
Base-Base interactions energy: -31.606
where: short stacking energy: -31.606
Base-Backbone interact. energy: -0.093
local terms energy: -50.709668
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.595
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: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -87.101644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.101644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.101644 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -23.694
Base-Backbone interact. energy: -1.540
local terms energy: -42.538417
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: 5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -76.653525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653525 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.721
local terms energy: -48.089694
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -2.245
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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -230.420574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.420574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.420574 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -66.479
Base-Backbone interact. energy: 0.300
local terms energy: -75.125963
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -20.924
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: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -238.778039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.778039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.778039 (E_RNA)
where:
Base-Base interactions energy: -156.142
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.002
local terms energy: -82.633872
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -228.594057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.594057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.594057 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.021
local terms energy: -74.933120
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -181.073003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.073003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.073003 (E_RNA)
where:
Base-Base interactions energy: -110.528
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.427
local terms energy: -70.117742
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.478
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: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -181.657225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.657225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657225 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -46.518
Base-Backbone interact. energy: -0.067
local terms energy: -63.854941
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -175.976194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.976194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.976194 (E_RNA)
where:
Base-Base interactions energy: -113.264
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.155
local terms energy: -62.556878
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -165.810778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810778 (E_RNA)
where:
Base-Base interactions energy: -109.334
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.686
local terms energy: -55.790733
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -87.291374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291374 (E_RNA)
where:
Base-Base interactions energy: -42.522
where: short stacking energy: -13.919
Base-Backbone interact. energy: -0.828
local terms energy: -43.941074
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -86.124703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124703 (E_RNA)
where:
Base-Base interactions energy: -27.839
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.009
local terms energy: -58.277311
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -75.278774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.278774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.278774 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -25.071
Base-Backbone interact. energy: -1.375
local terms energy: -43.789004
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -238.707604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.707604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.707604 (E_RNA)
where:
Base-Base interactions energy: -162.192
where: short stacking energy: -67.960
Base-Backbone interact. energy: -0.007
local terms energy: -76.508324
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -11.203
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: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -233.090989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.090989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.090989 (E_RNA)
where:
Base-Base interactions energy: -159.962
where: short stacking energy: -64.112
Base-Backbone interact. energy: 1.572
local terms energy: -74.701315
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -228.457873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.457873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.457873 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.403
local terms energy: -74.466408
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -199.176740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.176740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.176740 (E_RNA)
where:
Base-Base interactions energy: -127.396
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.011
local terms energy: -71.769207
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -18.404
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -183.672565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.672565 (E_RNA)
where:
Base-Base interactions energy: -118.937
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.535
local terms energy: -64.200557
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.624
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: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -172.830002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.830002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.830002 (E_RNA)
where:
Base-Base interactions energy: -111.916
where: short stacking energy: -49.932
Base-Backbone interact. energy: 0.961
local terms energy: -61.875445
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.021
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -154.328357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.328357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.328357 (E_RNA)
where:
Base-Base interactions energy: -102.744
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.246
local terms energy: -51.338312
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -7.500
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.934564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934564 (E_RNA)
where:
Base-Base interactions energy: -55.879
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.219
local terms energy: -47.836286
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -1.810
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -84.679975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679975 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.137
local terms energy: -48.940159
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -6.821
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.530651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.530651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.530651 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.152
local terms energy: -50.664623
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -8.516
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: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -232.572471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.572471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.572471 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.092
local terms energy: -76.239101
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -237.238253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.238253 (E_RNA)
where:
Base-Base interactions energy: -158.896
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.003
local terms energy: -78.339597
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -22.736
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: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -235.434141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.434141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.434141 (E_RNA)
where:
Base-Base interactions energy: -158.191
where: short stacking energy: -74.327
Base-Backbone interact. energy: -0.010
local terms energy: -77.233253
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -21.773
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -190.397450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.397450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.397450 (E_RNA)
where:
Base-Base interactions energy: -119.912
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.205
local terms energy: -70.280667
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -12.832
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: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -185.476517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476517 (E_RNA)
where:
Base-Base interactions energy: -115.411
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.107
local terms energy: -69.958829
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -162.853374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.853374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.853374 (E_RNA)
where:
Base-Base interactions energy: -96.098
where: short stacking energy: -47.675
Base-Backbone interact. energy: 0.255
local terms energy: -67.010873
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -163.022308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.022308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.022308 (E_RNA)
where:
Base-Base interactions energy: -107.425
where: short stacking energy: -43.339
Base-Backbone interact. energy: 0.437
local terms energy: -56.035068
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -13.075
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: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -127.019855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.019855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.019855 (E_RNA)
where:
Base-Base interactions energy: -69.858
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.703
local terms energy: -56.458783
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -92.338826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338826 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.096
local terms energy: -58.821872
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -5.874
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: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -78.640779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.640779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.640779 (E_RNA)
where:
Base-Base interactions energy: -27.719
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.436
local terms energy: -50.486166
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -242.370576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.370576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.370576 (E_RNA)
where:
Base-Base interactions energy: -162.533
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.058
local terms energy: -79.779017
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -20.426
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -233.148473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.148473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.148473 (E_RNA)
where:
Base-Base interactions energy: -158.259
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.280
local terms energy: -74.608626
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.481
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -231.056156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.056156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.056156 (E_RNA)
where:
Base-Base interactions energy: -157.533
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.000
local terms energy: -73.523055
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -20.887
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: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -192.475028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.475028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.475028 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.002
local terms energy: -68.967579
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.811
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -186.992738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.992738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.992738 (E_RNA)
where:
Base-Base interactions energy: -123.764
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.108
local terms energy: -63.120967
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -153.438754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.438754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.438754 (E_RNA)
where:
Base-Base interactions energy: -85.725
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.340
local terms energy: -67.373463
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -144.872318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.872318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.872318 (E_RNA)
where:
Base-Base interactions energy: -90.901
where: short stacking energy: -37.839
Base-Backbone interact. energy: -0.067
local terms energy: -53.904142
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -153.735322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.735322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.735322 (E_RNA)
where:
Base-Base interactions energy: -93.204
where: short stacking energy: -39.583
Base-Backbone interact. energy: -0.285
local terms energy: -60.246521
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -83.963514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.963514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.963514 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -32.788
Base-Backbone interact. energy: -0.026
local terms energy: -47.796606
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -77.993849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.993849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.993849 (E_RNA)
where:
Base-Base interactions energy: -21.332
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.229
local terms energy: -56.432439
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -0.675
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: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -232.455110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.455110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.455110 (E_RNA)
where:
Base-Base interactions energy: -151.097
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.125
local terms energy: -81.233356
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -21.588
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -227.392667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392667 (E_RNA)
where:
Base-Base interactions energy: -153.416
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.150
local terms energy: -73.826512
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.394
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: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -229.058379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.058379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.058379 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.049
local terms energy: -75.801020
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -17.658
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -204.909934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.909934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.909934 (E_RNA)
where:
Base-Base interactions energy: -129.049
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.013
local terms energy: -75.848685
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -193.038181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.038181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.038181 (E_RNA)
where:
Base-Base interactions energy: -121.903
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.018
local terms energy: -71.116986
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.001
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -134.241071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.241071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.241071 (E_RNA)
where:
Base-Base interactions energy: -76.711
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.743
local terms energy: -56.787161
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -148.587241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.587241 (E_RNA)
where:
Base-Base interactions energy: -93.766
where: short stacking energy: -47.110
Base-Backbone interact. energy: -0.293
local terms energy: -54.528369
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.274
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -108.628876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.628876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.628876 (E_RNA)
where:
Base-Base interactions energy: -63.156
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.127
local terms energy: -45.345773
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -90.310150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310150 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.023
local terms energy: -57.410591
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -74.030125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.030125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.030125 (E_RNA)
where:
Base-Base interactions energy: -22.295
where: short stacking energy: -22.295
Base-Backbone interact. energy: -0.301
local terms energy: -51.434095
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -240.382080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.382080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.382080 (E_RNA)
where:
Base-Base interactions energy: -163.873
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.005
local terms energy: -76.504044
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -20.519
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: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -226.195140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.195140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.195140 (E_RNA)
where:
Base-Base interactions energy: -155.662
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.131
local terms energy: -70.401923
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -233.608238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.608238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.608238 (E_RNA)
where:
Base-Base interactions energy: -151.695
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.004
local terms energy: -81.909366
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.453
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -206.140068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.140068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.140068 (E_RNA)
where:
Base-Base interactions energy: -126.128
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.007
local terms energy: -80.004516
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -20.850
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: 82
Temperature: 1.100000
Total energy: -152.230573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.230573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.230573 (E_RNA)
where:
Base-Base interactions energy: -98.610
where: short stacking energy: -53.904
Base-Backbone interact. energy: 1.168
local terms energy: -54.788165
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -184.093800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.093800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.093800 (E_RNA)
where:
Base-Base interactions energy: -113.976
where: short stacking energy: -46.756
Base-Backbone interact. energy: -0.006
local terms energy: -70.111344
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -15.632
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: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -86.066093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066093 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.735
local terms energy: -51.234658
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -155.665067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.665067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.665067 (E_RNA)
where:
Base-Base interactions energy: -91.139
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.431
local terms energy: -64.094466
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -76.343105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.343105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.343105 (E_RNA)
where:
Base-Base interactions energy: -24.750
where: short stacking energy: -24.750
Base-Backbone interact. energy: 0.061
local terms energy: -51.654443
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -75.686649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.686649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.686649 (E_RNA)
where:
Base-Base interactions energy: -22.375
where: short stacking energy: -18.199
Base-Backbone interact. energy: -0.526
local terms energy: -52.785320
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -1.686
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: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -240.713239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.713239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.713239 (E_RNA)
where:
Base-Base interactions energy: -160.731
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.004
local terms energy: -79.978781
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -231.001426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.001426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.001426 (E_RNA)
where:
Base-Base interactions energy: -154.307
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.668
local terms energy: -76.025917
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -230.127865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.127865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.127865 (E_RNA)
where:
Base-Base interactions energy: -152.317
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.006
local terms energy: -77.804051
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -197.612219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.612219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.612219 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.000
local terms energy: -72.196039
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.347
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: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -163.095981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.095981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.095981 (E_RNA)
where:
Base-Base interactions energy: -101.805
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.258
local terms energy: -61.032469
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -9.236
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: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -177.469151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.469151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.469151 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.049
local terms energy: -60.953789
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -13.391
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -93.312092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.312092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.312092 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -38.195
Base-Backbone interact. energy: 0.753
local terms energy: -49.328890
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -9.416
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: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -174.728590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.728590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.728590 (E_RNA)
where:
Base-Base interactions energy: -113.359
where: short stacking energy: -37.036
Base-Backbone interact. energy: 0.085
local terms energy: -61.454874
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -80.293738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.293738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.293738 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -28.992
Base-Backbone interact. energy: 0.553
local terms energy: -51.855435
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -67.229177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.229177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.229177 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.122
local terms energy: -43.489004
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -0.161
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: 84
Temperature: 0.900000
Total energy: -237.063990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.063990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.063990 (E_RNA)
where:
Base-Base interactions energy: -160.724
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.011
local terms energy: -76.329572
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -237.297600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.297600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.297600 (E_RNA)
where:
Base-Base interactions energy: -167.139
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.078
local terms energy: -70.080289
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -18.657
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: 84
Temperature: 1.000000
Total energy: -232.371802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.371802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.371802 (E_RNA)
where:
Base-Base interactions energy: -154.184
where: short stacking energy: -63.488
Base-Backbone interact. energy: 0.727
local terms energy: -78.914900
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -193.794908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794908 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -47.244
Base-Backbone interact. energy: -0.049
local terms energy: -69.241652
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -191.342963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.342963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.342963 (E_RNA)
where:
Base-Base interactions energy: -118.649
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.368
local terms energy: -72.325454
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -12.940
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: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -159.428775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.428775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.428775 (E_RNA)
where:
Base-Base interactions energy: -91.031
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.029
local terms energy: -68.368672
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -151.342650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.342650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.342650 (E_RNA)
where:
Base-Base interactions energy: -84.019
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.162
local terms energy: -67.161010
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -92.749830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.749830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.749830 (E_RNA)
where:
Base-Base interactions energy: -53.796
where: short stacking energy: -18.840
Base-Backbone interact. energy: -0.384
local terms energy: -38.570494
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -4.729
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -88.028422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028422 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.283
local terms energy: -47.637958
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -0.825
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: 84
Temperature: 1.350000
Total energy: -79.872357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.872357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.872357 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.682
local terms energy: -49.908965
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -1.742
tors. eta vs tors. theta energy: -5.367
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: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -235.608405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.608405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.608405 (E_RNA)
where:
Base-Base interactions energy: -156.120
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.003
local terms energy: -79.485420
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -20.994
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -232.134605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.134605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.134605 (E_RNA)
where:
Base-Base interactions energy: -154.913
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.305
local terms energy: -76.916885
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -20.796
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -229.745498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.745498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.745498 (E_RNA)
where:
Base-Base interactions energy: -153.696
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.002
local terms energy: -76.047568
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -20.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -186.290612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290612 (E_RNA)
where:
Base-Base interactions energy: -116.584
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.010
local terms energy: -69.696791
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -185.858055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858055 (E_RNA)
where:
Base-Base interactions energy: -116.526
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.002
local terms energy: -69.329974
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -19.513
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: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -163.235526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.235526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.235526 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -44.283
Base-Backbone interact. energy: -0.070
local terms energy: -63.897872
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -184.789317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.789317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.789317 (E_RNA)
where:
Base-Base interactions energy: -114.329
where: short stacking energy: -52.500
Base-Backbone interact. energy: -0.017
local terms energy: -70.443585
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.323
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: 85
Temperature: 1.250000
Total energy: -97.520204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.520204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.520204 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.057
local terms energy: -57.529667
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -82.772727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.772727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.772727 (E_RNA)
where:
Base-Base interactions energy: -33.284
where: short stacking energy: -31.414
Base-Backbone interact. energy: 0.229
local terms energy: -49.717905
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -80.051158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.051158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.051158 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.292
Base-Backbone interact. energy: -0.054
local terms energy: -49.087691
where:
bonds (distance) C4'-P energy: -7.675
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -237.390929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.390929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.390929 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.129
local terms energy: -80.695028
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -20.436
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: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -236.741230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.741230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.741230 (E_RNA)
where:
Base-Base interactions energy: -166.165
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.004
local terms energy: -70.572996
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -237.007195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.007195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.007195 (E_RNA)
where:
Base-Base interactions energy: -157.325
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.018
local terms energy: -79.663829
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -22.457
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: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -197.977080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.977080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.977080 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -67.341
Base-Backbone interact. energy: 1.487
local terms energy: -75.747048
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.808
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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -189.054513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.054513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.054513 (E_RNA)
where:
Base-Base interactions energy: -118.040
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.003
local terms energy: -71.010855
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -168.863943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.863943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.863943 (E_RNA)
where:
Base-Base interactions energy: -108.665
where: short stacking energy: -45.760
Base-Backbone interact. energy: -1.095
local terms energy: -59.104028
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -183.865448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.865448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.865448 (E_RNA)
where:
Base-Base interactions energy: -108.494
where: short stacking energy: -53.945
Base-Backbone interact. energy: 0.776
local terms energy: -76.146957
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -19.036
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: 86
Temperature: 1.250000
Total energy: -96.931997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.931997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.931997 (E_RNA)
where:
Base-Base interactions energy: -39.968
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.001
local terms energy: -56.962305
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -85.344401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.344401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.344401 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.117
local terms energy: -46.997454
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -70.889754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.889754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.889754 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -18.160
Base-Backbone interact. energy: -2.487
local terms energy: -46.448292
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -237.634257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.634257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.634257 (E_RNA)
where:
Base-Base interactions energy: -166.865
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.001
local terms energy: -70.768164
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.202
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: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -237.570218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.570218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.570218 (E_RNA)
where:
Base-Base interactions energy: -163.813
where: short stacking energy: -67.831
Base-Backbone interact. energy: -0.060
local terms energy: -73.697071
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -234.662728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.662728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.662728 (E_RNA)
where:
Base-Base interactions energy: -152.871
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.122
local terms energy: -81.669838
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -186.429123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.429123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.429123 (E_RNA)
where:
Base-Base interactions energy: -117.958
where: short stacking energy: -63.331
Base-Backbone interact. energy: 0.084
local terms energy: -68.554336
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -191.491188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.491188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.491188 (E_RNA)
where:
Base-Base interactions energy: -127.601
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.006
local terms energy: -63.884162
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -208.253908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.253908 (E_RNA)
where:
Base-Base interactions energy: -138.962
where: short stacking energy: -56.525
Base-Backbone interact. energy: -0.005
local terms energy: -69.286303
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -154.688102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.688102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.688102 (E_RNA)
where:
Base-Base interactions energy: -103.194
where: short stacking energy: -38.874
Base-Backbone interact. energy: 0.032
local terms energy: -51.526132
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -7.991
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -121.537728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.537728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.537728 (E_RNA)
where:
Base-Base interactions energy: -74.759
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.345
local terms energy: -46.433639
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -1.905
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -77.552975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.552975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.552975 (E_RNA)
where:
Base-Base interactions energy: -30.074
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.219
local terms energy: -47.259270
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -86.320838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320838 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -27.948
Base-Backbone interact. energy: -0.105
local terms energy: -53.449604
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -2.249
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -235.585066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.585066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.585066 (E_RNA)
where:
Base-Base interactions energy: -164.581
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.549
local terms energy: -70.455334
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -233.908355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.908355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.908355 (E_RNA)
where:
Base-Base interactions energy: -155.983
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.408
local terms energy: -77.516967
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -222.474035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474035 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.023
local terms energy: -75.896743
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -21.144
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: 88
Temperature: 1.050000
Total energy: -187.197902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.197902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.197902 (E_RNA)
where:
Base-Base interactions energy: -118.307
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.160
local terms energy: -68.731180
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -222.767179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767179 (E_RNA)
where:
Base-Base interactions energy: -154.934
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.637
local terms energy: -67.195889
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -177.265704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265704 (E_RNA)
where:
Base-Base interactions energy: -115.148
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.235
local terms energy: -61.881975
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -149.523650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.523650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.523650 (E_RNA)
where:
Base-Base interactions energy: -94.143
where: short stacking energy: -39.050
Base-Backbone interact. energy: 0.194
local terms energy: -55.574746
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -8.455
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -144.139552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.139552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.139552 (E_RNA)
where:
Base-Base interactions energy: -93.057
where: short stacking energy: -41.281
Base-Backbone interact. energy: -0.244
local terms energy: -50.839009
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -125.218836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.218836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.218836 (E_RNA)
where:
Base-Base interactions energy: -69.097
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.003
local terms energy: -56.118743
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -6.844
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -72.982063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.982063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.982063 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.184
local terms energy: -44.304150
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -3.934
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -242.412848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.412848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.412848 (E_RNA)
where:
Base-Base interactions energy: -162.642
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.009
local terms energy: -79.762078
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -234.298973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.298973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.298973 (E_RNA)
where:
Base-Base interactions energy: -159.260
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.087
local terms energy: -74.952214
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -231.195025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.195025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.195025 (E_RNA)
where:
Base-Base interactions energy: -157.246
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.159
local terms energy: -73.790153
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -231.277003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.277003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.277003 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.094
local terms energy: -75.083784
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -11.877
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: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -189.616424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.616424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.616424 (E_RNA)
where:
Base-Base interactions energy: -119.710
where: short stacking energy: -56.002
Base-Backbone interact. energy: -0.254
local terms energy: -69.651894
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -159.776742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.776742 (E_RNA)
where:
Base-Base interactions energy: -98.140
where: short stacking energy: -43.400
Base-Backbone interact. energy: 0.698
local terms energy: -62.334247
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -168.386503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.386503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.386503 (E_RNA)
where:
Base-Base interactions energy: -105.201
where: short stacking energy: -47.704
Base-Backbone interact. energy: -0.062
local terms energy: -63.123735
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -9.578
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: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -156.663601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.663601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.663601 (E_RNA)
where:
Base-Base interactions energy: -94.742
where: short stacking energy: -47.471
Base-Backbone interact. energy: 0.005
local terms energy: -61.926539
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -85.308901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.308901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.308901 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.000
local terms energy: -41.300951
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -76.638485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.638485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.638485 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.188
local terms energy: -46.500529
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: 0.786
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: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -237.063785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.063785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.063785 (E_RNA)
where:
Base-Base interactions energy: -162.592
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.151
local terms energy: -74.319987
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -234.366326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.366326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.366326 (E_RNA)
where:
Base-Base interactions energy: -162.506
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.589
local terms energy: -71.270905
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -236.248567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.248567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.248567 (E_RNA)
where:
Base-Base interactions energy: -157.819
where: short stacking energy: -69.188
Base-Backbone interact. energy: -0.001
local terms energy: -78.428167
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -229.789324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789324 (E_RNA)
where:
Base-Base interactions energy: -155.428
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.217
local terms energy: -74.144415
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -167.405339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.405339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.405339 (E_RNA)
where:
Base-Base interactions energy: -103.197
where: short stacking energy: -43.155
Base-Backbone interact. energy: -0.114
local terms energy: -64.094305
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -10.323
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -181.978230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.978230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.978230 (E_RNA)
where:
Base-Base interactions energy: -110.909
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.108
local terms energy: -70.960768
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -172.111600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111600 (E_RNA)
where:
Base-Base interactions energy: -112.717
where: short stacking energy: -58.077
Base-Backbone interact. energy: -1.936
local terms energy: -57.458245
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -151.139871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.139871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.139871 (E_RNA)
where:
Base-Base interactions energy: -94.341
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.301
local terms energy: -56.497210
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -80.204187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204187 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -34.069
Base-Backbone interact. energy: -0.156
local terms energy: -45.978911
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -73.129724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.129724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.129724 (E_RNA)
where:
Base-Base interactions energy: -27.348
where: short stacking energy: -23.019
Base-Backbone interact. energy: 2.486
local terms energy: -48.267470
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -1.166
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: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -240.982853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.982853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.982853 (E_RNA)
where:
Base-Base interactions energy: -164.916
where: short stacking energy: -70.766
Base-Backbone interact. energy: 0.048
local terms energy: -76.114740
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -20.280
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: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -235.473035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473035 (E_RNA)
where:
Base-Base interactions energy: -156.746
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.009
local terms energy: -78.717546
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.411
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -225.994350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.994350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.994350 (E_RNA)
where:
Base-Base interactions energy: -150.087
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.316
local terms energy: -75.591463
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -226.842845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.842845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.842845 (E_RNA)
where:
Base-Base interactions energy: -151.818
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.019
local terms energy: -75.005774
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.968
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: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -222.584509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.584509 (E_RNA)
where:
Base-Base interactions energy: -149.044
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.008
local terms energy: -73.532226
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -178.476009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.476009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.476009 (E_RNA)
where:
Base-Base interactions energy: -110.250
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.002
local terms energy: -68.224283
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -15.858
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: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -165.957336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.957336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.957336 (E_RNA)
where:
Base-Base interactions energy: -106.912
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.080
local terms energy: -58.965192
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -6.886
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -137.631646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.631646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.631646 (E_RNA)
where:
Base-Base interactions energy: -87.029
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.218
local terms energy: -50.384071
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -73.491160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.491160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.491160 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -14.848
Base-Backbone interact. energy: -0.683
local terms energy: -42.512205
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: 4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -79.577408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.577408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.577408 (E_RNA)
where:
Base-Base interactions energy: -30.515
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.258
local terms energy: -48.803911
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -239.070980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.070980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070980 (E_RNA)
where:
Base-Base interactions energy: -161.578
where: short stacking energy: -73.534
Base-Backbone interact. energy: -0.003
local terms energy: -77.490731
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -237.530662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.530662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.530662 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -74.982
Base-Backbone interact. energy: -0.019
local terms energy: -75.867050
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -20.906
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: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -224.781679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.781679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.781679 (E_RNA)
where:
Base-Base interactions energy: -152.297
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.071
local terms energy: -72.413396
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -5.693
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: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -227.824603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824603 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -67.921
Base-Backbone interact. energy: -0.002
local terms energy: -71.397077
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -225.985389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.985389 (E_RNA)
where:
Base-Base interactions energy: -155.388
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.014
local terms energy: -70.583150
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -175.004616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.004616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.004616 (E_RNA)
where:
Base-Base interactions energy: -112.640
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.035
local terms energy: -62.329047
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -13.230
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: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -109.210581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.210581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.210581 (E_RNA)
where:
Base-Base interactions energy: -61.797
where: short stacking energy: -33.940
Base-Backbone interact. energy: 0.580
local terms energy: -47.993336
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: 0.172
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: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -166.188292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.188292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.188292 (E_RNA)
where:
Base-Base interactions energy: -117.408
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.011
local terms energy: -48.769058
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -4.415
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -82.214488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214488 (E_RNA)
where:
Base-Base interactions energy: -32.074
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.316
local terms energy: -49.824841
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -5.896
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -73.143026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.143026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.143026 (E_RNA)
where:
Base-Base interactions energy: -20.486
where: short stacking energy: -17.593
Base-Backbone interact. energy: -0.476
local terms energy: -52.181193
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: 7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -243.001811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.001811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.001811 (E_RNA)
where:
Base-Base interactions energy: -160.176
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.009
local terms energy: -82.816840
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -22.008
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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -235.455566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.455566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.455566 (E_RNA)
where:
Base-Base interactions energy: -154.026
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.212
local terms energy: -81.217301
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -236.026134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.026134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.026134 (E_RNA)
where:
Base-Base interactions energy: -156.582
where: short stacking energy: -72.802
Base-Backbone interact. energy: -0.001
local terms energy: -79.442995
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -223.688139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.688139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.688139 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.082
local terms energy: -69.362777
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -17.510
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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -218.824402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824402 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.001
local terms energy: -71.524396
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -188.560707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.560707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.560707 (E_RNA)
where:
Base-Base interactions energy: -122.094
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.074
local terms energy: -66.392797
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -90.351856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.351856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.351856 (E_RNA)
where:
Base-Base interactions energy: -31.537
where: short stacking energy: -31.537
Base-Backbone interact. energy: 0.014
local terms energy: -58.828302
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -5.713
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: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -176.831571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831571 (E_RNA)
where:
Base-Base interactions energy: -109.412
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.014
local terms energy: -67.405545
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -12.552
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: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -84.161017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.161017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.161017 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.126
local terms energy: -50.560118
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -5.427
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: 93
Temperature: 1.350000
Total energy: -84.093359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.093359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.093359 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -28.658
Base-Backbone interact. energy: -0.067
local terms energy: -54.378547
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -237.289444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.289444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.289444 (E_RNA)
where:
Base-Base interactions energy: -165.576
where: short stacking energy: -77.555
Base-Backbone interact. energy: -0.055
local terms energy: -71.658002
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -21.041
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: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -229.617600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.617600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.617600 (E_RNA)
where:
Base-Base interactions energy: -155.168
where: short stacking energy: -74.206
Base-Backbone interact. energy: -0.068
local terms energy: -74.381419
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -22.298
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -223.638675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.638675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.638675 (E_RNA)
where:
Base-Base interactions energy: -150.157
where: short stacking energy: -53.879
Base-Backbone interact. energy: -0.001
local terms energy: -73.480235
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -21.171
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: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -225.517663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517663 (E_RNA)
where:
Base-Base interactions energy: -145.776
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.252
local terms energy: -79.489761
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -182.664112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.664112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.664112 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.706
local terms energy: -66.829186
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -216.080374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.080374 (E_RNA)
where:
Base-Base interactions energy: -138.756
where: short stacking energy: -63.650
Base-Backbone interact. energy: -0.001
local terms energy: -77.322819
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -179.391432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.391432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.391432 (E_RNA)
where:
Base-Base interactions energy: -118.037
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.009
local terms energy: -61.346105
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -76.649615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.649615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.649615 (E_RNA)
where:
Base-Base interactions energy: -27.613
where: short stacking energy: -24.750
Base-Backbone interact. energy: -1.064
local terms energy: -47.972429
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -72.623727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.623727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.623727 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -31.403
Base-Backbone interact. energy: 1.087
local terms energy: -42.307540
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -69.882112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.882112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.882112 (E_RNA)
where:
Base-Base interactions energy: -21.546
where: short stacking energy: -21.546
Base-Backbone interact. energy: -0.313
local terms energy: -48.023220
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -233.244732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.244732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.244732 (E_RNA)
where:
Base-Base interactions energy: -155.198
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.003
local terms energy: -78.043643
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.102
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -233.951247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.951247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.951247 (E_RNA)
where:
Base-Base interactions energy: -153.941
where: short stacking energy: -65.156
Base-Backbone interact. energy: 0.248
local terms energy: -80.258074
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -232.403162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.403162 (E_RNA)
where:
Base-Base interactions energy: -156.649
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.082
local terms energy: -75.671874
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -19.819
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -225.571122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.571122 (E_RNA)
where:
Base-Base interactions energy: -151.711
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.048
local terms energy: -73.811802
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -7.616
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -182.654357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.654357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.654357 (E_RNA)
where:
Base-Base interactions energy: -117.270
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.716
local terms energy: -64.668246
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -195.117200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.117200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.117200 (E_RNA)
where:
Base-Base interactions energy: -117.004
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.021
local terms energy: -78.092512
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -20.880
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: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -213.496228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.496228 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.124
local terms energy: -72.344987
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -80.045026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045026 (E_RNA)
where:
Base-Base interactions energy: -29.517
where: short stacking energy: -21.649
Base-Backbone interact. energy: -1.296
local terms energy: -49.231448
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.418927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.418927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.418927 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -23.069
Base-Backbone interact. energy: -0.131
local terms energy: -55.354485
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.021752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021752 (E_RNA)
where:
Base-Base interactions energy: -23.789
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.518
local terms energy: -55.715268
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -5.030
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -238.949379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.949379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.949379 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.099
local terms energy: -75.573557
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -21.563
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -236.770543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770543 (E_RNA)
where:
Base-Base interactions energy: -158.697
where: short stacking energy: -63.944
Base-Backbone interact. energy: -0.747
local terms energy: -77.325898
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -227.049497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.049497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.049497 (E_RNA)
where:
Base-Base interactions energy: -151.731
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.358
local terms energy: -74.960178
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -227.538496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538496 (E_RNA)
where:
Base-Base interactions energy: -150.301
where: short stacking energy: -62.088
Base-Backbone interact. energy: 0.020
local terms energy: -77.257451
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -195.826515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.826515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.826515 (E_RNA)
where:
Base-Base interactions energy: -124.597
where: short stacking energy: -63.371
Base-Backbone interact. energy: 0.133
local terms energy: -71.363155
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -186.271715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.271715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.271715 (E_RNA)
where:
Base-Base interactions energy: -114.562
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.043
local terms energy: -71.666130
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -222.215937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.215937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.215937 (E_RNA)
where:
Base-Base interactions energy: -158.976
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.177
local terms energy: -63.063385
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -79.881661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.881661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.881661 (E_RNA)
where:
Base-Base interactions energy: -26.405
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.247
local terms energy: -53.229400
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -77.462903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.462903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.462903 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.148
local terms energy: -46.708302
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -68.788933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.788933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.788933 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -25.559
Base-Backbone interact. energy: -0.816
local terms energy: -39.217320
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: 3.451
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: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -240.003495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.003495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.003495 (E_RNA)
where:
Base-Base interactions energy: -153.624
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.008
local terms energy: -86.371577
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -231.406501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.406501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.406501 (E_RNA)
where:
Base-Base interactions energy: -156.480
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.026
local terms energy: -74.900622
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -22.813
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -231.959034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.959034 (E_RNA)
where:
Base-Base interactions energy: -158.742
where: short stacking energy: -64.930
Base-Backbone interact. energy: 0.625
local terms energy: -73.841110
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -226.215692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.215692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.215692 (E_RNA)
where:
Base-Base interactions energy: -149.395
where: short stacking energy: -60.618
Base-Backbone interact. energy: 0.031
local terms energy: -76.851046
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -191.671443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.671443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.671443 (E_RNA)
where:
Base-Base interactions energy: -122.717
where: short stacking energy: -66.417
Base-Backbone interact. energy: 0.597
local terms energy: -69.551337
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -220.400348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.400348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.400348 (E_RNA)
where:
Base-Base interactions energy: -153.160
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.070
local terms energy: -67.169997
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -173.970785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.970785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.970785 (E_RNA)
where:
Base-Base interactions energy: -107.253
where: short stacking energy: -41.261
Base-Backbone interact. energy: -0.311
local terms energy: -66.406164
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -92.671669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.671669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.671669 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.175
local terms energy: -55.395746
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -5.938
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: 97
Temperature: 1.300000
Total energy: -93.060303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.060303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.060303 (E_RNA)
where:
Base-Base interactions energy: -44.549
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.352
local terms energy: -48.159581
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -8.304
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: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -78.010893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010893 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -27.958
Base-Backbone interact. energy: 0.299
local terms energy: -43.131334
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -236.277768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.277768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.277768 (E_RNA)
where:
Base-Base interactions energy: -154.247
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.007
local terms energy: -82.024456
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -22.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -237.377060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.377060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.377060 (E_RNA)
where:
Base-Base interactions energy: -162.062
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.156
local terms energy: -75.159264
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -231.106707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.106707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.106707 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.078
local terms energy: -78.977174
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -223.714315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.714315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.714315 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.045
local terms energy: -77.254801
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -217.651875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.651875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.651875 (E_RNA)
where:
Base-Base interactions energy: -155.294
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.394
local terms energy: -61.964213
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.740
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: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -176.319390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.319390 (E_RNA)
where:
Base-Base interactions energy: -109.895
where: short stacking energy: -59.918
Base-Backbone interact. energy: -1.092
local terms energy: -65.331857
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -172.194473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.194473 (E_RNA)
where:
Base-Base interactions energy: -111.829
where: short stacking energy: -46.142
Base-Backbone interact. energy: -0.085
local terms energy: -60.280335
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -78.796463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.796463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.796463 (E_RNA)
where:
Base-Base interactions energy: -32.092
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.063
local terms energy: -46.641499
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -6.515
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -76.736620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.736620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.736620 (E_RNA)
where:
Base-Base interactions energy: -26.950
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.023
local terms energy: -49.763589
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -87.251318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251318 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.751
local terms energy: -55.241871
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -9.779
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: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -237.771328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.771328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.771328 (E_RNA)
where:
Base-Base interactions energy: -156.490
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.008
local terms energy: -81.273520
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.798
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: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -239.114762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114762 (E_RNA)
where:
Base-Base interactions energy: -156.658
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.020
local terms energy: -82.436525
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -239.983109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.983109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.983109 (E_RNA)
where:
Base-Base interactions energy: -160.718
where: short stacking energy: -68.855
Base-Backbone interact. energy: -0.194
local terms energy: -79.070948
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -20.172
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: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -226.977684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977684 (E_RNA)
where:
Base-Base interactions energy: -157.034
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.599
local terms energy: -69.345101
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -219.214459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.214459 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.040
local terms energy: -64.505317
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -177.274960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.274960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.274960 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.189
local terms energy: -63.596510
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -179.456035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.456035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.456035 (E_RNA)
where:
Base-Base interactions energy: -119.572
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.397
local terms energy: -59.486694
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -83.367123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367123 (E_RNA)
where:
Base-Base interactions energy: -30.818
where: short stacking energy: -24.137
Base-Backbone interact. energy: -0.128
local terms energy: -52.420353
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -79.126993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.126993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.126993 (E_RNA)
where:
Base-Base interactions energy: -45.249
where: short stacking energy: -22.096
Base-Backbone interact. energy: 0.220
local terms energy: -34.097591
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: 0.067
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: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -78.205278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.205278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.205278 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -22.468
Base-Backbone interact. energy: -0.104
local terms energy: -49.730832
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -240.146756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.146756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.146756 (E_RNA)
where:
Base-Base interactions energy: -161.807
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.000
local terms energy: -78.339631
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -6.825
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: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -235.170962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.170962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.170962 (E_RNA)
where:
Base-Base interactions energy: -154.916
where: short stacking energy: -70.589
Base-Backbone interact. energy: -0.029
local terms energy: -80.226676
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -224.783448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.783448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.783448 (E_RNA)
where:
Base-Base interactions energy: -150.044
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.100
local terms energy: -74.639124
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -226.655902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.655902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.655902 (E_RNA)
where:
Base-Base interactions energy: -154.730
where: short stacking energy: -69.978
Base-Backbone interact. energy: 0.079
local terms energy: -72.004801
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -220.321802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.321802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.321802 (E_RNA)
where:
Base-Base interactions energy: -151.996
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.029
local terms energy: -68.297240
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -185.320551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.320551 (E_RNA)
where:
Base-Base interactions energy: -120.320
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.031
local terms energy: -64.969820
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -176.519998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.519998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.519998 (E_RNA)
where:
Base-Base interactions energy: -111.343
where: short stacking energy: -50.570
Base-Backbone interact. energy: 1.874
local terms energy: -67.050390
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -81.677488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.677488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.677488 (E_RNA)
where:
Base-Base interactions energy: -38.449
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.103
local terms energy: -43.124758
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -73.256335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.256335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.256335 (E_RNA)
where:
Base-Base interactions energy: -20.627
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.111
local terms energy: -52.518469
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -77.641321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.641321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.641321 (E_RNA)
where:
Base-Base interactions energy: -26.544
where: short stacking energy: -25.998
Base-Backbone interact. energy: 1.715
local terms energy: -52.811915
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -237.913563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.913563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.913563 (E_RNA)
where:
Base-Base interactions energy: -164.769
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.000
local terms energy: -73.143893
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -237.609026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.609026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.609026 (E_RNA)
where:
Base-Base interactions energy: -157.124
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.005
local terms energy: -80.480081
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -231.283345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.283345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.283345 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.083
local terms energy: -75.438054
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -8.922
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: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -224.739370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.739370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.739370 (E_RNA)
where:
Base-Base interactions energy: -150.513
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.041
local terms energy: -74.185499
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -221.933219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.933219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.933219 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -57.310
Base-Backbone interact. energy: -0.072
local terms energy: -69.452985
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -179.847948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.847948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.847948 (E_RNA)
where:
Base-Base interactions energy: -113.377
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.164
local terms energy: -66.306967
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -179.107907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.107907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.107907 (E_RNA)
where:
Base-Base interactions energy: -104.641
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.068
local terms energy: -74.397998
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -100.344599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.344599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.344599 (E_RNA)
where:
Base-Base interactions energy: -49.520
where: short stacking energy: -18.200
Base-Backbone interact. energy: -0.205
local terms energy: -50.620351
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -89.946719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946719 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.018
local terms energy: -51.305268
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -74.242079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.242079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.242079 (E_RNA)
where:
Base-Base interactions energy: -27.365
where: short stacking energy: -18.729
Base-Backbone interact. energy: -1.013
local terms energy: -45.864292
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 6.636
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: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -240.209299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.209299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.209299 (E_RNA)
where:
Base-Base interactions energy: -158.737
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.005
local terms energy: -81.468026
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -12.228
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: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -234.200771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.200771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.200771 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.308
local terms energy: -81.702116
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -231.061210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.061210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.061210 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.056
local terms energy: -78.284129
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -225.799618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.799618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.799618 (E_RNA)
where:
Base-Base interactions energy: -145.969
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.001
local terms energy: -79.829597
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -19.628
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -220.942526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.942526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.942526 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.039
local terms energy: -71.736356
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -19.034
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: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -174.776288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.776288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.776288 (E_RNA)
where:
Base-Base interactions energy: -111.913
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.001
local terms energy: -62.862225
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -180.160658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160658 (E_RNA)
where:
Base-Base interactions energy: -119.330
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.652
local terms energy: -60.178960
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -118.657143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.657143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.657143 (E_RNA)
where:
Base-Base interactions energy: -72.094
where: short stacking energy: -39.310
Base-Backbone interact. energy: -0.244
local terms energy: -46.319180
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -91.514098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.514098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.514098 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.396
local terms energy: -51.013682
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -4.689
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.292715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.292715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.292715 (E_RNA)
where:
Base-Base interactions energy: -31.167
where: short stacking energy: -30.916
Base-Backbone interact. energy: -0.213
local terms energy: -41.912840
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -3.520
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.212
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: 103
Temperature: 0.900000
Total energy: -237.357200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.357200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.357200 (E_RNA)
where:
Base-Base interactions energy: -159.478
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.095
local terms energy: -77.783993
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -22.072
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: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -227.522158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522158 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.011
local terms energy: -71.809774
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.813
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: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -227.610333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.610333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.610333 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.086
local terms energy: -76.817627
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -224.821904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.821904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.821904 (E_RNA)
where:
Base-Base interactions energy: -158.270
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.002
local terms energy: -66.550214
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -216.993694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.993694 (E_RNA)
where:
Base-Base interactions energy: -150.148
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.179
local terms energy: -66.666306
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.585
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: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -169.857023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.857023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.857023 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.009
local terms energy: -58.203537
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -178.315907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.315907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.315907 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -47.112
Base-Backbone interact. energy: 0.146
local terms energy: -65.570102
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -92.911589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911589 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.142
local terms energy: -57.282460
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -114.177753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.177753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.177753 (E_RNA)
where:
Base-Base interactions energy: -59.015
where: short stacking energy: -27.969
Base-Backbone interact. energy: -0.375
local terms energy: -54.787087
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -75.021577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.021577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.021577 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.135
local terms energy: -44.245947
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -0.458
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: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -241.121657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.121657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.121657 (E_RNA)
where:
Base-Base interactions energy: -159.246
where: short stacking energy: -61.387
Base-Backbone interact. energy: -0.012
local terms energy: -81.863982
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.575
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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -224.526065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.526065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.526065 (E_RNA)
where:
Base-Base interactions energy: -151.928
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.110
local terms energy: -72.488435
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -229.357365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.357365 (E_RNA)
where:
Base-Base interactions energy: -154.367
where: short stacking energy: -65.181
Base-Backbone interact. energy: -0.012
local terms energy: -74.978106
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -228.339620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.339620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.339620 (E_RNA)
where:
Base-Base interactions energy: -153.162
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.007
local terms energy: -75.171015
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -229.363312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.363312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.363312 (E_RNA)
where:
Base-Base interactions energy: -151.622
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.109
local terms energy: -77.632527
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -22.335
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: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -183.752665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.752665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.752665 (E_RNA)
where:
Base-Base interactions energy: -116.359
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.163
local terms energy: -67.230206
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -15.937
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: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -96.569192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.569192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.569192 (E_RNA)
where:
Base-Base interactions energy: -36.006
where: short stacking energy: -36.006
Base-Backbone interact. energy: 0.023
local terms energy: -60.585742
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -121.532875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.532875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.532875 (E_RNA)
where:
Base-Base interactions energy: -72.833
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.117
local terms energy: -48.582596
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -3.451
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: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -126.869469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.869469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.869469 (E_RNA)
where:
Base-Base interactions energy: -78.954
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.114
local terms energy: -47.801198
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -3.796
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: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -71.691128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.691128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.691128 (E_RNA)
where:
Base-Base interactions energy: -22.523
where: short stacking energy: -20.436
Base-Backbone interact. energy: -0.994
local terms energy: -48.174884
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: 3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -240.127367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.127367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.127367 (E_RNA)
where:
Base-Base interactions energy: -163.120
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.119
local terms energy: -76.887973
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.386
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -234.947610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.947610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.947610 (E_RNA)
where:
Base-Base interactions energy: -158.315
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.303
local terms energy: -76.329499
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -232.946739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.946739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.946739 (E_RNA)
where:
Base-Base interactions energy: -162.984
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.108
local terms energy: -69.854618
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -221.184569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.184569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.184569 (E_RNA)
where:
Base-Base interactions energy: -158.372
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.141
local terms energy: -62.671951
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -223.804025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.804025 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.001
local terms energy: -75.638987
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -10.664
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: 105
Temperature: 1.150000
Total energy: -166.142069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.142069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.142069 (E_RNA)
where:
Base-Base interactions energy: -102.781
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.865
local terms energy: -62.495674
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.774
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: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -97.533357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.533357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.533357 (E_RNA)
where:
Base-Base interactions energy: -46.079
where: short stacking energy: -31.220
Base-Backbone interact. energy: 0.373
local terms energy: -51.827295
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -123.257419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.257419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.257419 (E_RNA)
where:
Base-Base interactions energy: -65.727
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.143
local terms energy: -57.386793
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -82.669718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.669718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.669718 (E_RNA)
where:
Base-Base interactions energy: -28.531
where: short stacking energy: -28.531
Base-Backbone interact. energy: -0.127
local terms energy: -54.010837
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -78.511454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511454 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -21.834
Base-Backbone interact. energy: 0.421
local terms energy: -46.842960
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: 0.683
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -238.139333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.139333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.139333 (E_RNA)
where:
Base-Base interactions energy: -153.817
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.005
local terms energy: -84.317679
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -22.947
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: 106
Temperature: 0.950000
Total energy: -230.818468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.818468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.818468 (E_RNA)
where:
Base-Base interactions energy: -154.086
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.072
local terms energy: -76.660328
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -8.295
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: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -224.771096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.771096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.771096 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.408
local terms energy: -78.573008
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -19.885
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: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -223.192243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.192243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192243 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.375
local terms energy: -75.591101
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -14.997
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: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -224.132755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.132755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.132755 (E_RNA)
where:
Base-Base interactions energy: -149.123
where: short stacking energy: -65.455
Base-Backbone interact. energy: -0.107
local terms energy: -74.903325
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -171.420035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.420035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.420035 (E_RNA)
where:
Base-Base interactions energy: -108.185
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.177
local terms energy: -63.058774
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -143.688378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.688378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.688378 (E_RNA)
where:
Base-Base interactions energy: -89.228
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.580
local terms energy: -53.880908
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -6.620
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: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -82.808465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.808465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.808465 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.025
local terms energy: -42.588738
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -2.742
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -80.523193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.523193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.523193 (E_RNA)
where:
Base-Base interactions energy: -28.290
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.293
local terms energy: -51.940080
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -2.956
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: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -89.054406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.054406 (E_RNA)
where:
Base-Base interactions energy: -31.705
where: short stacking energy: -31.705
Base-Backbone interact. energy: -0.129
local terms energy: -57.220132
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -240.265950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.265950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.265950 (E_RNA)
where:
Base-Base interactions energy: -158.562
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.022
local terms energy: -81.681912
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -21.575
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -232.723673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.723673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.723673 (E_RNA)
where:
Base-Base interactions energy: -161.576
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.002
local terms energy: -71.145523
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -227.974065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.974065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.974065 (E_RNA)
where:
Base-Base interactions energy: -149.669
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.099
local terms energy: -78.205291
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -216.318307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.318307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.318307 (E_RNA)
where:
Base-Base interactions energy: -149.227
where: short stacking energy: -60.611
Base-Backbone interact. energy: 1.002
local terms energy: -68.093324
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -221.590225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590225 (E_RNA)
where:
Base-Base interactions energy: -149.067
where: short stacking energy: -61.392
Base-Backbone interact. energy: 0.784
local terms energy: -73.307508
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -172.756412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.756412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.756412 (E_RNA)
where:
Base-Base interactions energy: -111.637
where: short stacking energy: -50.151
Base-Backbone interact. energy: -0.127
local terms energy: -60.992536
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -10.721
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -168.915237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.915237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.915237 (E_RNA)
where:
Base-Base interactions energy: -100.151
where: short stacking energy: -44.686
Base-Backbone interact. energy: -0.475
local terms energy: -68.289019
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -13.323
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: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -83.265724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.265724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.265724 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -26.734
Base-Backbone interact. energy: 0.314
local terms energy: -50.610631
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -78.144502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.144502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.144502 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -32.174
Base-Backbone interact. energy: 1.578
local terms energy: -47.248531
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -0.053
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: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -68.847075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.847075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.847075 (E_RNA)
where:
Base-Base interactions energy: -16.165
where: short stacking energy: -16.365
Base-Backbone interact. energy: -0.271
local terms energy: -52.410946
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -2.192
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: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -236.099142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.099142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.099142 (E_RNA)
where:
Base-Base interactions energy: -163.772
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.066
local terms energy: -72.261579
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -242.833717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.833717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.833717 (E_RNA)
where:
Base-Base interactions energy: -162.270
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.020
local terms energy: -80.543552
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -23.001
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: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -236.788187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.788187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.788187 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.002
local terms energy: -80.359932
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -225.926342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.926342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926342 (E_RNA)
where:
Base-Base interactions energy: -156.136
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.105
local terms energy: -69.684870
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -22.009
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: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -215.420942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.420942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.420942 (E_RNA)
where:
Base-Base interactions energy: -146.427
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.012
local terms energy: -68.982732
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -3.821
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: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -164.561442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.561442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.561442 (E_RNA)
where:
Base-Base interactions energy: -96.193
where: short stacking energy: -40.827
Base-Backbone interact. energy: -2.846
local terms energy: -65.522514
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -9.504
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -164.765182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.765182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.765182 (E_RNA)
where:
Base-Base interactions energy: -99.675
where: short stacking energy: -49.804
Base-Backbone interact. energy: 1.937
local terms energy: -67.026697
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -87.516342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.516342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.516342 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.142
local terms energy: -59.066742
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -73.953156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.953156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.953156 (E_RNA)
where:
Base-Base interactions energy: -27.468
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.174
local terms energy: -46.310598
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -75.321368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321368 (E_RNA)
where:
Base-Base interactions energy: -26.238
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.119
local terms energy: -48.964654
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -1.829
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: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -243.498088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.498088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.498088 (E_RNA)
where:
Base-Base interactions energy: -164.224
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.125
local terms energy: -79.148991
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -239.989998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.989998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.989998 (E_RNA)
where:
Base-Base interactions energy: -164.925
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.006
local terms energy: -75.058489
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -227.595005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.595005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.595005 (E_RNA)
where:
Base-Base interactions energy: -160.414
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.026
local terms energy: -67.154752
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -231.231562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.231562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.231562 (E_RNA)
where:
Base-Base interactions energy: -155.125
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.104
local terms energy: -76.002289
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -225.498391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.498391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.498391 (E_RNA)
where:
Base-Base interactions energy: -153.924
where: short stacking energy: -63.249
Base-Backbone interact. energy: -0.069
local terms energy: -71.505299
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.657
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: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -152.721591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.721591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.721591 (E_RNA)
where:
Base-Base interactions energy: -95.277
where: short stacking energy: -32.113
Base-Backbone interact. energy: -1.092
local terms energy: -56.352906
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -156.893211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.893211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.893211 (E_RNA)
where:
Base-Base interactions energy: -94.523
where: short stacking energy: -47.428
Base-Backbone interact. energy: -0.135
local terms energy: -62.235700
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -11.574
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: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -83.231918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.231918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.231918 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.002
local terms energy: -55.496409
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.986
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: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -78.777197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.777197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.777197 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.156
local terms energy: -48.069986
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -7.468
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -90.019997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.019997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.019997 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.107
local terms energy: -53.054798
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -9.889
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: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -236.263379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.263379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.263379 (E_RNA)
where:
Base-Base interactions energy: -160.663
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.002
local terms energy: -75.598100
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -21.827
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -233.049256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.049256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.049256 (E_RNA)
where:
Base-Base interactions energy: -153.158
where: short stacking energy: -72.096
Base-Backbone interact. energy: 0.014
local terms energy: -79.905254
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -13.223
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -229.740946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.740946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.740946 (E_RNA)
where:
Base-Base interactions energy: -156.146
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.088
local terms energy: -73.507596
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -225.177009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177009 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.003
local terms energy: -72.937775
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -218.700018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.700018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.700018 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.007
local terms energy: -69.440859
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.127
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: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -192.731066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.731066 (E_RNA)
where:
Base-Base interactions energy: -134.013
where: short stacking energy: -44.404
Base-Backbone interact. energy: -0.724
local terms energy: -57.994327
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -97.744380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.744380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.744380 (E_RNA)
where:
Base-Base interactions energy: -44.238
where: short stacking energy: -36.441
Base-Backbone interact. energy: -0.083
local terms energy: -53.423926
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -91.227965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.227965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.227965 (E_RNA)
where:
Base-Base interactions energy: -43.481
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.083
local terms energy: -47.663370
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.967
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: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -80.778578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778578 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.195
local terms energy: -48.622254
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: 3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -87.955104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.955104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.955104 (E_RNA)
where:
Base-Base interactions energy: -33.461
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.210
local terms energy: -54.284561
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -3.838
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: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -238.386573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.386573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.386573 (E_RNA)
where:
Base-Base interactions energy: -162.329
where: short stacking energy: -69.201
Base-Backbone interact. energy: -0.088
local terms energy: -75.970041
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -233.460775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.460775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.460775 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.107
local terms energy: -75.931737
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -21.063
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: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -227.291008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.291008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.291008 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.268
local terms energy: -74.118381
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -214.463018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463018 (E_RNA)
where:
Base-Base interactions energy: -147.801
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.581
local terms energy: -66.081340
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -14.156
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: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -225.873513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873513 (E_RNA)
where:
Base-Base interactions energy: -154.751
where: short stacking energy: -64.689
Base-Backbone interact. energy: -0.014
local terms energy: -71.109016
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -207.379747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.379747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.379747 (E_RNA)
where:
Base-Base interactions energy: -148.537
where: short stacking energy: -51.554
Base-Backbone interact. energy: -0.228
local terms energy: -58.614857
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -105.790136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.790136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.790136 (E_RNA)
where:
Base-Base interactions energy: -49.299
where: short stacking energy: -39.592
Base-Backbone interact. energy: -0.164
local terms energy: -56.327405
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -5.849
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: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -85.682150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.682150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.682150 (E_RNA)
where:
Base-Base interactions energy: -38.456
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.629
local terms energy: -46.596909
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -83.896316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.896316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.896316 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -22.447
Base-Backbone interact. energy: -0.395
local terms energy: -48.263164
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -70.135169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.135169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.135169 (E_RNA)
where:
Base-Base interactions energy: -23.551
where: short stacking energy: -23.551
Base-Backbone interact. energy: 0.856
local terms energy: -47.440589
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -241.738829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.738829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.738829 (E_RNA)
where:
Base-Base interactions energy: -167.575
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.356
local terms energy: -73.807724
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -233.479553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.479553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.479553 (E_RNA)
where:
Base-Base interactions energy: -153.424
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.156
local terms energy: -79.899044
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -234.584675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.584675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.584675 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.057
local terms energy: -75.117326
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -229.278378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.278378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.278378 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.051
local terms energy: -78.607474
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -227.316764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.316764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.316764 (E_RNA)
where:
Base-Base interactions energy: -157.650
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.426
local terms energy: -69.240306
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -21.585
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -204.921942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.921942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.921942 (E_RNA)
where:
Base-Base interactions energy: -140.933
where: short stacking energy: -50.025
Base-Backbone interact. energy: 0.318
local terms energy: -64.307678
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -15.265
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -93.245636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.245636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.245636 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -39.379
Base-Backbone interact. energy: -0.045
local terms energy: -53.821664
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -7.161
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: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -83.555120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.555120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.555120 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.263
local terms energy: -49.823566
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -72.222265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.222265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.222265 (E_RNA)
where:
Base-Base interactions energy: -29.049
where: short stacking energy: -22.214
Base-Backbone interact. energy: -0.990
local terms energy: -42.183192
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -82.056444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.056444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.056444 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -29.965
Base-Backbone interact. energy: 2.018
local terms energy: -51.479977
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -240.516903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.516903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.516903 (E_RNA)
where:
Base-Base interactions energy: -161.044
where: short stacking energy: -73.605
Base-Backbone interact. energy: -0.100
local terms energy: -79.373182
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -240.190289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.190289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.190289 (E_RNA)
where:
Base-Base interactions energy: -163.727
where: short stacking energy: -77.166
Base-Backbone interact. energy: -0.002
local terms energy: -76.461134
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -233.944145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.944145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.944145 (E_RNA)
where:
Base-Base interactions energy: -159.979
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.209
local terms energy: -73.756680
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -21.430
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: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -228.568789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.568789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.568789 (E_RNA)
where:
Base-Base interactions energy: -151.556
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.031
local terms energy: -76.982449
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -11.576
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: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -217.225772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.225772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.225772 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.007
local terms energy: -74.497714
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -179.222203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.222203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.222203 (E_RNA)
where:
Base-Base interactions energy: -125.107
where: short stacking energy: -36.736
Base-Backbone interact. energy: -0.269
local terms energy: -53.846469
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -99.813902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.813902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.813902 (E_RNA)
where:
Base-Base interactions energy: -48.308
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.844
local terms energy: -50.661404
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -2.666
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: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -85.698629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.698629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.698629 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -29.649
Base-Backbone interact. energy: -0.243
local terms energy: -47.237170
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -79.351127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.351127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.351127 (E_RNA)
where:
Base-Base interactions energy: -27.839
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.199
local terms energy: -51.313422
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -4.926
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: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -75.137061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.137061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.137061 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -20.168
Base-Backbone interact. energy: -0.519
local terms energy: -38.033762
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: 2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -236.746792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.746792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.746792 (E_RNA)
where:
Base-Base interactions energy: -159.367
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.042
local terms energy: -77.337905
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -17.845
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: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -235.346993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.346993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.346993 (E_RNA)
where:
Base-Base interactions energy: -163.341
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.099
local terms energy: -71.907498
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -230.261520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.261520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.261520 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.708
local terms energy: -70.586931
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -20.230
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: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -229.714420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.714420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.714420 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.244
local terms energy: -79.250003
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -18.414
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: 114
Temperature: 1.100000
Total energy: -216.767247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.767247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.767247 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.008
local terms energy: -73.009504
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.998
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: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -166.938034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.938034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.938034 (E_RNA)
where:
Base-Base interactions energy: -101.706
where: short stacking energy: -48.108
Base-Backbone interact. energy: -0.110
local terms energy: -65.122198
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -88.659377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.659377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.659377 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.058
local terms energy: -51.550121
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -4.435
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -82.182505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182505 (E_RNA)
where:
Base-Base interactions energy: -34.346
where: short stacking energy: -25.160
Base-Backbone interact. energy: -0.087
local terms energy: -47.749189
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: 3.080
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: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -108.139052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.139052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.139052 (E_RNA)
where:
Base-Base interactions energy: -58.256
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.270
local terms energy: -49.612771
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -80.970191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.970191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.970191 (E_RNA)
where:
Base-Base interactions energy: -36.050
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.139
local terms energy: -44.780610
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -239.467641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.467641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.467641 (E_RNA)
where:
Base-Base interactions energy: -163.462
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.060
local terms energy: -75.945356
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -232.983764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.983764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.983764 (E_RNA)
where:
Base-Base interactions energy: -161.607
where: short stacking energy: -67.458
Base-Backbone interact. energy: -0.005
local terms energy: -71.371976
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -21.595
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -232.721541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.721541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.721541 (E_RNA)
where:
Base-Base interactions energy: -154.408
where: short stacking energy: -58.875
Base-Backbone interact. energy: -1.160
local terms energy: -77.153761
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -223.975477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.975477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.975477 (E_RNA)
where:
Base-Base interactions energy: -152.136
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.004
local terms energy: -71.835217
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -224.342498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.342498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.342498 (E_RNA)
where:
Base-Base interactions energy: -147.190
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.119
local terms energy: -77.033090
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -176.898563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898563 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -50.358
Base-Backbone interact. energy: -0.083
local terms energy: -59.655535
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -11.435
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: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -100.472308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.472308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.472308 (E_RNA)
where:
Base-Base interactions energy: -50.187
where: short stacking energy: -34.915
Base-Backbone interact. energy: -1.001
local terms energy: -49.283655
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -87.836597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.836597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.836597 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.020
local terms energy: -53.969345
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -79.000236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.000236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.000236 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.946
local terms energy: -47.359706
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.701919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701919 (E_RNA)
where:
Base-Base interactions energy: -27.015
where: short stacking energy: -27.015
Base-Backbone interact. energy: 0.277
local terms energy: -53.964332
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -233.952334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.952334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.952334 (E_RNA)
where:
Base-Base interactions energy: -158.884
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.011
local terms energy: -75.057698
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.919
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: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -233.482461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.482461 (E_RNA)
where:
Base-Base interactions energy: -157.682
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.002
local terms energy: -75.798245
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.223
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: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -225.425320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425320 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.001
local terms energy: -70.877485
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -20.051
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: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -227.513806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.513806 (E_RNA)
where:
Base-Base interactions energy: -154.831
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.048
local terms energy: -72.634083
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -219.128743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.128743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.128743 (E_RNA)
where:
Base-Base interactions energy: -140.854
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.490
local terms energy: -77.785248
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.469
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: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -209.626216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.626216 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -52.114
Base-Backbone interact. energy: -0.742
local terms energy: -75.325301
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -17.381
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: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -108.724498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.724498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.724498 (E_RNA)
where:
Base-Base interactions energy: -49.081
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.919
local terms energy: -58.724090
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -6.684
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: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -93.421994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.421994 (E_RNA)
where:
Base-Base interactions energy: -30.061
where: short stacking energy: -30.061
Base-Backbone interact. energy: 0.090
local terms energy: -63.450801
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -75.541741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.541741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.541741 (E_RNA)
where:
Base-Base interactions energy: -25.489
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.300
local terms energy: -49.753097
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -7.423
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -1.727
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -72.780350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.780350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.780350 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -26.886
Base-Backbone interact. energy: 0.277
local terms energy: -41.502021
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -1.636
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: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -235.801198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.801198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.801198 (E_RNA)
where:
Base-Base interactions energy: -161.532
where: short stacking energy: -69.924
Base-Backbone interact. energy: -0.046
local terms energy: -74.222364
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -5.132
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: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -233.267599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.267599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.267599 (E_RNA)
where:
Base-Base interactions energy: -154.447
where: short stacking energy: -69.320
Base-Backbone interact. energy: 0.635
local terms energy: -79.455433
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -227.186938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.186938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.186938 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.198
local terms energy: -75.662216
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -12.999
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -224.287119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.287119 (E_RNA)
where:
Base-Base interactions energy: -152.952
where: short stacking energy: -69.244
Base-Backbone interact. energy: -0.016
local terms energy: -71.319851
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -19.545
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: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -231.066368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.066368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.066368 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -65.648
Base-Backbone interact. energy: -0.010
local terms energy: -74.240444
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -8.340
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: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -215.592882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.592882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.592882 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.103
local terms energy: -68.967475
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -9.914
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -93.682971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.682971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.682971 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.581
local terms energy: -50.732828
where:
bonds (distance) C4'-P energy: -2.739
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -91.318878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.318878 (E_RNA)
where:
Base-Base interactions energy: -38.577
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.033
local terms energy: -52.708516
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -87.584142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.584142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.584142 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -33.131
Base-Backbone interact. energy: -0.090
local terms energy: -54.363478
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -6.835
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: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -73.436715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.436715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.436715 (E_RNA)
where:
Base-Base interactions energy: -31.099
where: short stacking energy: -13.485
Base-Backbone interact. energy: 1.523
local terms energy: -43.860226
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: -1.417
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: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -235.410060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.410060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.410060 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.001
local terms energy: -78.021020
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -22.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -239.211541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.211541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.211541 (E_RNA)
where:
Base-Base interactions energy: -165.435
where: short stacking energy: -70.138
Base-Backbone interact. energy: 0.165
local terms energy: -73.942132
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -228.248366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.248366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.248366 (E_RNA)
where:
Base-Base interactions energy: -160.994
where: short stacking energy: -69.534
Base-Backbone interact. energy: 0.089
local terms energy: -67.343315
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -217.949558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.949558 (E_RNA)
where:
Base-Base interactions energy: -144.945
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.009
local terms energy: -72.995058
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -17.445
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: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -221.203317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.203317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.203317 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.045
local terms energy: -77.024781
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -216.664009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.664009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.664009 (E_RNA)
where:
Base-Base interactions energy: -156.784
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.024
local terms energy: -59.855916
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.709
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -96.610581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.610581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.610581 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.048
local terms energy: -58.439383
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -77.965047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.965047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.965047 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.318
local terms energy: -46.015178
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -79.412836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.412836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.412836 (E_RNA)
where:
Base-Base interactions energy: -33.265
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.360
local terms energy: -45.787555
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -5.408
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: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -75.902272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.902272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.902272 (E_RNA)
where:
Base-Base interactions energy: -23.963
where: short stacking energy: -23.963
Base-Backbone interact. energy: -0.046
local terms energy: -51.893860
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -240.268592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.268592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.268592 (E_RNA)
where:
Base-Base interactions energy: -162.178
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.411
local terms energy: -77.679283
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -236.658700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.658700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.658700 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.134
local terms energy: -77.954094
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -233.371897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.371897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371897 (E_RNA)
where:
Base-Base interactions energy: -154.824
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.001
local terms energy: -78.547100
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -222.925723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.925723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.925723 (E_RNA)
where:
Base-Base interactions energy: -156.142
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.100
local terms energy: -66.683987
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -208.192140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.192140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.192140 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.168
local terms energy: -64.293522
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.980
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -217.466551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.466551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.466551 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.240
local terms energy: -70.897177
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -14.910
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: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -124.910079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.910079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.910079 (E_RNA)
where:
Base-Base interactions energy: -71.646
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.333
local terms energy: -52.930349
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -87.850594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850594 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -27.417
Base-Backbone interact. energy: -0.104
local terms energy: -54.394851
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -70.447164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.447164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.447164 (E_RNA)
where:
Base-Base interactions energy: -26.383
where: short stacking energy: -20.949
Base-Backbone interact. energy: -0.056
local terms energy: -44.007354
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -84.669147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669147 (E_RNA)
where:
Base-Base interactions energy: -33.366
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.258
local terms energy: -51.045146
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -239.376024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.376024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.376024 (E_RNA)
where:
Base-Base interactions energy: -166.842
where: short stacking energy: -75.434
Base-Backbone interact. energy: -0.001
local terms energy: -72.533616
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -235.511229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.511229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.511229 (E_RNA)
where:
Base-Base interactions energy: -164.383
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.670
local terms energy: -70.458885
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -19.065
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: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -233.410063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.410063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.410063 (E_RNA)
where:
Base-Base interactions energy: -150.573
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.285
local terms energy: -82.551671
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -238.485554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.485554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.485554 (E_RNA)
where:
Base-Base interactions energy: -161.871
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.002
local terms energy: -76.612929
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -22.819
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -222.374423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.374423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.374423 (E_RNA)
where:
Base-Base interactions energy: -148.172
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.053
local terms energy: -74.148565
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -215.421911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.421911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.421911 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.081
local terms energy: -67.714542
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -121.400269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.400269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.400269 (E_RNA)
where:
Base-Base interactions energy: -75.073
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.213
local terms energy: -46.114714
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -4.901
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: 120
Temperature: 1.250000
Total energy: -88.802722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802722 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.353
local terms energy: -51.662273
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -1.930
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: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -82.260593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.260593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.260593 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -30.738
Base-Backbone interact. energy: 1.155
local terms energy: -52.677980
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -79.352816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.352816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.352816 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -23.451
Base-Backbone interact. energy: -0.066
local terms energy: -42.372773
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -2.894
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -239.423164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.423164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.423164 (E_RNA)
where:
Base-Base interactions energy: -165.764
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.001
local terms energy: -73.657774
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -20.349
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: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -239.266747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.266747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.266747 (E_RNA)
where:
Base-Base interactions energy: -163.786
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.012
local terms energy: -75.468390
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -238.349035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.349035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.349035 (E_RNA)
where:
Base-Base interactions energy: -163.864
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.713
local terms energy: -73.771865
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -225.536029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.536029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.536029 (E_RNA)
where:
Base-Base interactions energy: -150.552
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.470
local terms energy: -74.513522
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -11.632
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -221.242491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.242491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.242491 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.099
local terms energy: -68.313355
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -222.687760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.687760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.687760 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.064
local terms energy: -68.076397
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -22.161
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: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -147.598821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.598821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.598821 (E_RNA)
where:
Base-Base interactions energy: -89.867
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.813
local terms energy: -56.919692
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -12.805
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: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -81.203802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.203802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.203802 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.604
local terms energy: -40.470448
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 2.543
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: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -86.682687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682687 (E_RNA)
where:
Base-Base interactions energy: -39.440
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.294
local terms energy: -46.948775
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -12.162
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: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -110.049345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.049345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.049345 (E_RNA)
where:
Base-Base interactions energy: -51.001
where: short stacking energy: -28.126
Base-Backbone interact. energy: 0.434
local terms energy: -59.483093
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -239.485082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.485082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.485082 (E_RNA)
where:
Base-Base interactions energy: -161.473
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.013
local terms energy: -77.998678
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -22.905
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: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -243.529540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.529540 (E_RNA)
where:
Base-Base interactions energy: -165.409
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.005
local terms energy: -78.115926
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -231.500696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.500696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.500696 (E_RNA)
where:
Base-Base interactions energy: -152.364
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.001
local terms energy: -79.135766
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -230.206628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.206628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.206628 (E_RNA)
where:
Base-Base interactions energy: -152.313
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.015
local terms energy: -77.878910
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -23.225
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: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -223.090089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090089 (E_RNA)
where:
Base-Base interactions energy: -150.523
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.006
local terms energy: -72.561220
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -210.412360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412360 (E_RNA)
where:
Base-Base interactions energy: -148.328
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.029
local terms energy: -62.055672
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -152.698392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.698392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.698392 (E_RNA)
where:
Base-Base interactions energy: -97.849
where: short stacking energy: -50.799
Base-Backbone interact. energy: 1.565
local terms energy: -56.413664
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.416869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.416869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.416869 (E_RNA)
where:
Base-Base interactions energy: -40.608
where: short stacking energy: -24.102
Base-Backbone interact. energy: -1.298
local terms energy: -41.511095
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -7.607
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -90.178399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178399 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -30.700
Base-Backbone interact. energy: -0.145
local terms energy: -57.484253
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -8.669
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: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -90.150280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.150280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.150280 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.027
local terms energy: -57.687653
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -239.034437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.034437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.034437 (E_RNA)
where:
Base-Base interactions energy: -166.876
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.008
local terms energy: -72.150827
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -9.439
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -21.082
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: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -234.984333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.984333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.984333 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -64.143
Base-Backbone interact. energy: 0.133
local terms energy: -80.621404
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -221.133347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.133347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133347 (E_RNA)
where:
Base-Base interactions energy: -143.900
where: short stacking energy: -58.710
Base-Backbone interact. energy: -0.081
local terms energy: -77.151853
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.306
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: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -224.731782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.731782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731782 (E_RNA)
where:
Base-Base interactions energy: -149.054
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.072
local terms energy: -75.606199
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -229.269039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.269039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.269039 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -73.025
Base-Backbone interact. energy: -0.003
local terms energy: -73.897851
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -221.374479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.374479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.374479 (E_RNA)
where:
Base-Base interactions energy: -148.908
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.015
local terms energy: -72.451636
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -171.111052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.111052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.111052 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -46.000
Base-Backbone interact. energy: 0.050
local terms energy: -51.549263
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -89.614785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.614785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.614785 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -31.828
Base-Backbone interact. energy: -0.004
local terms energy: -57.782597
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -87.143976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143976 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -22.357
Base-Backbone interact. energy: -0.350
local terms energy: -40.941708
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -5.029
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -67.690132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.690132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.690132 (E_RNA)
where:
Base-Base interactions energy: -20.035
where: short stacking energy: -19.264
Base-Backbone interact. energy: -0.326
local terms energy: -47.329288
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -241.928438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.928438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.928438 (E_RNA)
where:
Base-Base interactions energy: -163.319
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.003
local terms energy: -78.606068
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -236.578523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.578523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.578523 (E_RNA)
where:
Base-Base interactions energy: -161.396
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.048
local terms energy: -75.134766
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -226.174574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.174574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.174574 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.923
local terms energy: -73.808569
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -229.925127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.925127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.925127 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.096
local terms energy: -77.622592
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -227.466391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.466391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.466391 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -68.020
Base-Backbone interact. energy: 1.508
local terms energy: -78.769778
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -214.127829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127829 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.132
local terms energy: -69.545419
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -212.453936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.453936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.453936 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.001
local terms energy: -65.271891
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -5.999
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: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -99.367167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.367167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.367167 (E_RNA)
where:
Base-Base interactions energy: -58.032
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.122
local terms energy: -41.213115
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -5.030
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -77.013251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.013251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.013251 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -31.543
Base-Backbone interact. energy: -0.357
local terms energy: -43.641211
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -77.671998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.671998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.671998 (E_RNA)
where:
Base-Base interactions energy: -26.083
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.321
local terms energy: -51.267469
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -239.955061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.955061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.955061 (E_RNA)
where:
Base-Base interactions energy: -154.653
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.051
local terms energy: -85.251074
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -23.511
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: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -233.609233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.609233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.609233 (E_RNA)
where:
Base-Base interactions energy: -156.285
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.091
local terms energy: -77.232770
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -232.564309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.564309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.564309 (E_RNA)
where:
Base-Base interactions energy: -160.585
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.067
local terms energy: -71.912503
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -18.695
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -231.652114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.652114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.652114 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.011
local terms energy: -80.270532
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -21.948
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -218.230887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.230887 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -63.916
Base-Backbone interact. energy: 0.543
local terms energy: -66.583537
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -224.517073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.517073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.517073 (E_RNA)
where:
Base-Base interactions energy: -152.380
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.037
local terms energy: -72.100278
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -217.205605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.205605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.205605 (E_RNA)
where:
Base-Base interactions energy: -150.022
where: short stacking energy: -68.894
Base-Backbone interact. energy: 0.341
local terms energy: -67.524407
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -88.201774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201774 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -20.182
Base-Backbone interact. energy: 0.484
local terms energy: -53.670346
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -84.249902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.249902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.249902 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -29.914
Base-Backbone interact. energy: -0.268
local terms energy: -46.989330
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -7.798
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: 0.213
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: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -80.839744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839744 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.100
local terms energy: -47.070529
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -244.366786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.366786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.366786 (E_RNA)
where:
Base-Base interactions energy: -174.277
where: short stacking energy: -76.977
Base-Backbone interact. energy: -0.394
local terms energy: -69.695917
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -231.808098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.808098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.808098 (E_RNA)
where:
Base-Base interactions energy: -160.301
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.004
local terms energy: -71.503193
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -20.647
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: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -226.187842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187842 (E_RNA)
where:
Base-Base interactions energy: -151.293
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.582
local terms energy: -74.312612
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -216.773976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.773976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.773976 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -59.637
Base-Backbone interact. energy: -1.024
local terms energy: -67.039559
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -16.895
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: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -221.963901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.963901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.963901 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.004
local terms energy: -67.979468
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -20.085
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: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -207.800526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800526 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.004
local terms energy: -65.750627
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.304
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: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -220.114772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.114772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.114772 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.041
local terms energy: -74.181181
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.747
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: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -87.745517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745517 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.197
local terms energy: -53.517373
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -79.761554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761554 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -29.776
Base-Backbone interact. energy: 0.302
local terms energy: -50.221670
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -81.009920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.009920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.009920 (E_RNA)
where:
Base-Base interactions energy: -33.041
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.208
local terms energy: -47.761553
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -241.493958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.493958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.493958 (E_RNA)
where:
Base-Base interactions energy: -161.390
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.166
local terms energy: -79.937419
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -230.584663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.584663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584663 (E_RNA)
where:
Base-Base interactions energy: -153.025
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.005
local terms energy: -77.554725
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -12.930
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: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -233.520378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.520378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.520378 (E_RNA)
where:
Base-Base interactions energy: -159.559
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.005
local terms energy: -73.956190
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -230.426849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.426849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426849 (E_RNA)
where:
Base-Base interactions energy: -156.215
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.016
local terms energy: -74.196046
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -229.920194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.920194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.920194 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.008
local terms energy: -79.564996
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -227.684896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.684896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.684896 (E_RNA)
where:
Base-Base interactions energy: -155.449
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.577
local terms energy: -71.658981
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -18.789
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: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -211.905192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.905192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.905192 (E_RNA)
where:
Base-Base interactions energy: -138.817
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.166
local terms energy: -72.921800
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -129.557801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.557801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.557801 (E_RNA)
where:
Base-Base interactions energy: -66.818
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.142
local terms energy: -62.598297
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -80.657213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.657213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.657213 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.418
local terms energy: -47.828050
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -77.374572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374572 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -28.667
Base-Backbone interact. energy: -0.754
local terms energy: -49.252839
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -248.392336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.392336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.392336 (E_RNA)
where:
Base-Base interactions energy: -166.413
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.102
local terms energy: -81.876982
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -223.372374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.372374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.372374 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.202
local terms energy: -79.035965
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -16.222
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: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -234.464338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.464338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.464338 (E_RNA)
where:
Base-Base interactions energy: -152.602
where: short stacking energy: -66.271
Base-Backbone interact. energy: -0.182
local terms energy: -81.681130
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -229.630477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.630477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.630477 (E_RNA)
where:
Base-Base interactions energy: -157.445
where: short stacking energy: -71.049
Base-Backbone interact. energy: -0.315
local terms energy: -71.869824
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -6.697
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -227.904821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.904821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.904821 (E_RNA)
where:
Base-Base interactions energy: -151.179
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.008
local terms energy: -76.718296
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -20.213
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -219.423066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.423066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.423066 (E_RNA)
where:
Base-Base interactions energy: -145.293
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.390
local terms energy: -73.739784
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -211.806611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.806611 (E_RNA)
where:
Base-Base interactions energy: -140.086
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.001
local terms energy: -71.719576
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -131.153600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.153600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.153600 (E_RNA)
where:
Base-Base interactions energy: -68.634
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.128
local terms energy: -62.392038
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -9.833
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: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -78.997085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.997085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.997085 (E_RNA)
where:
Base-Base interactions energy: -25.858
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.235
local terms energy: -52.904039
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -79.550049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.550049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.550049 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -30.995
Base-Backbone interact. energy: -0.046
local terms energy: -46.796480
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -238.600436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.600436 (E_RNA)
where:
Base-Base interactions energy: -158.844
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.073
local terms energy: -79.683925
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -21.545
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: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -225.897142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.897142 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -62.041
Base-Backbone interact. energy: -0.259
local terms energy: -74.288700
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -228.007158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.007158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.007158 (E_RNA)
where:
Base-Base interactions energy: -156.277
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.298
local terms energy: -71.432533
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -235.511951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.511951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.511951 (E_RNA)
where:
Base-Base interactions energy: -154.807
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.001
local terms energy: -80.704232
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -21.474
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -218.695764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.695764 (E_RNA)
where:
Base-Base interactions energy: -145.755
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.001
local terms energy: -72.939424
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -18.751
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -222.887031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.887031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.887031 (E_RNA)
where:
Base-Base interactions energy: -151.821
where: short stacking energy: -62.951
Base-Backbone interact. energy: -0.216
local terms energy: -70.849236
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -20.063
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: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -225.943258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.943258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.943258 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -69.193
Base-Backbone interact. energy: -0.177
local terms energy: -74.596024
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.210
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: 129
Temperature: 1.250000
Total energy: -92.400748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.400748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.400748 (E_RNA)
where:
Base-Base interactions energy: -44.964
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.005
local terms energy: -47.431530
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -80.267288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.267288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.267288 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.348
local terms energy: -47.613847
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -140.095718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.095718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.095718 (E_RNA)
where:
Base-Base interactions energy: -89.199
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.493
local terms energy: -50.403981
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -238.707890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.707890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.707890 (E_RNA)
where:
Base-Base interactions energy: -161.036
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.125
local terms energy: -77.546824
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -18.606
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: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -227.941781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.941781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.941781 (E_RNA)
where:
Base-Base interactions energy: -152.824
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.110
local terms energy: -75.006824
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -224.278125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.278125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.278125 (E_RNA)
where:
Base-Base interactions energy: -156.483
where: short stacking energy: -69.772
Base-Backbone interact. energy: -0.006
local terms energy: -67.788900
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -221.301259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.301259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.301259 (E_RNA)
where:
Base-Base interactions energy: -152.364
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.117
local terms energy: -68.819361
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -18.438
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: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -226.139341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139341 (E_RNA)
where:
Base-Base interactions energy: -154.691
where: short stacking energy: -69.340
Base-Backbone interact. energy: 0.084
local terms energy: -71.532014
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -221.927171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927171 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.048
local terms energy: -79.347429
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.061
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: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -220.108607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.108607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.108607 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.054
local terms energy: -72.452296
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -83.251857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.251857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.251857 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.171
local terms energy: -44.286706
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -135.151167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.151167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.151167 (E_RNA)
where:
Base-Base interactions energy: -75.957
where: short stacking energy: -23.946
Base-Backbone interact. energy: -0.081
local terms energy: -59.113022
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -76.067785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.067785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.067785 (E_RNA)
where:
Base-Base interactions energy: -30.154
where: short stacking energy: -30.154
Base-Backbone interact. energy: -0.556
local terms energy: -45.358152
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -231.812281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.812281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.812281 (E_RNA)
where:
Base-Base interactions energy: -160.990
where: short stacking energy: -67.982
Base-Backbone interact. energy: -0.168
local terms energy: -70.653771
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -231.870093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.870093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.870093 (E_RNA)
where:
Base-Base interactions energy: -159.383
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.171
local terms energy: -72.315489
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -20.723
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: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -220.979432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.979432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979432 (E_RNA)
where:
Base-Base interactions energy: -151.577
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.153
local terms energy: -69.249840
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -18.444
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -224.179430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179430 (E_RNA)
where:
Base-Base interactions energy: -154.671
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.042
local terms energy: -69.466428
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -6.014
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: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -227.444907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.444907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.444907 (E_RNA)
where:
Base-Base interactions energy: -152.464
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.014
local terms energy: -74.967023
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -219.118968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.118968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.118968 (E_RNA)
where:
Base-Base interactions energy: -144.949
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.428
local terms energy: -73.742101
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -18.696
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: 131
Temperature: 1.200000
Total energy: -209.803993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.803993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803993 (E_RNA)
where:
Base-Base interactions energy: -137.515
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.009
local terms energy: -72.280330
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -118.817527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.817527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.817527 (E_RNA)
where:
Base-Base interactions energy: -71.114
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.240
local terms energy: -47.463506
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -74.437395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.437395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.437395 (E_RNA)
where:
Base-Base interactions energy: -24.278
where: short stacking energy: -24.278
Base-Backbone interact. energy: -0.022
local terms energy: -50.138017
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: 1.689
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: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -78.972544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.972544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.972544 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.268
local terms energy: -50.767875
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -1.444
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: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -243.602724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.602724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.602724 (E_RNA)
where:
Base-Base interactions energy: -163.652
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.000
local terms energy: -79.949767
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -227.417639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.417639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417639 (E_RNA)
where:
Base-Base interactions energy: -157.790
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.167
local terms energy: -69.461006
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -231.559288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.559288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.559288 (E_RNA)
where:
Base-Base interactions energy: -161.119
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.628
local terms energy: -69.812427
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -219.574593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.574593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.574593 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -59.518
Base-Backbone interact. energy: -0.058
local terms energy: -72.367011
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -15.678
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: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -221.865470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.865470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.865470 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.008
local terms energy: -75.809625
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -219.253891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.253891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.253891 (E_RNA)
where:
Base-Base interactions energy: -149.593
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.266
local terms energy: -69.394445
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -218.018974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.018974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.018974 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.043
local terms energy: -69.494496
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -165.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.048526 (E_RNA)
where:
Base-Base interactions energy: -100.133
where: short stacking energy: -40.226
Base-Backbone interact. energy: -1.216
local terms energy: -63.699215
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.589
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: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -84.120172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120172 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.187
local terms energy: -50.110563
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -71.917682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.917682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.917682 (E_RNA)
where:
Base-Base interactions energy: -27.907
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.554
local terms energy: -43.456348
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -233.885045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.885045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.885045 (E_RNA)
where:
Base-Base interactions energy: -155.878
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.003
local terms energy: -78.003889
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -228.147232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.147232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.147232 (E_RNA)
where:
Base-Base interactions energy: -156.693
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.064
local terms energy: -71.389868
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -227.488406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488406 (E_RNA)
where:
Base-Base interactions energy: -153.710
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.177
local terms energy: -73.601306
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -224.268360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.268360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.268360 (E_RNA)
where:
Base-Base interactions energy: -149.032
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.008
local terms energy: -75.228274
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -224.288322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.288322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.288322 (E_RNA)
where:
Base-Base interactions energy: -152.987
where: short stacking energy: -63.721
Base-Backbone interact. energy: 1.012
local terms energy: -72.312549
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -18.159
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -226.219609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.219609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.219609 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.031
local terms energy: -74.966462
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -19.444
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: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -216.973674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973674 (E_RNA)
where:
Base-Base interactions energy: -139.079
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.006
local terms energy: -77.889005
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -19.558
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: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -187.289151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.289151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.289151 (E_RNA)
where:
Base-Base interactions energy: -122.381
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.120
local terms energy: -64.787746
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -14.959
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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -90.409877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409877 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -31.828
Base-Backbone interact. energy: -0.479
local terms energy: -54.663145
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -2.720
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: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -83.471867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.471867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.471867 (E_RNA)
where:
Base-Base interactions energy: -31.448
where: short stacking energy: -16.308
Base-Backbone interact. energy: -0.297
local terms energy: -51.725997
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -237.083167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.083167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.083167 (E_RNA)
where:
Base-Base interactions energy: -154.824
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.052
local terms energy: -82.207486
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -12.701
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: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -231.912653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.912653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.912653 (E_RNA)
where:
Base-Base interactions energy: -155.608
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.053
local terms energy: -76.250904
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.615
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: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -231.005649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.005649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.005649 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.470
local terms energy: -73.424756
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -223.275512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.275512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.275512 (E_RNA)
where:
Base-Base interactions energy: -152.848
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.172
local terms energy: -70.256075
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -221.531885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.531885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.531885 (E_RNA)
where:
Base-Base interactions energy: -152.627
where: short stacking energy: -59.177
Base-Backbone interact. energy: 1.402
local terms energy: -70.307354
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -216.823026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.823026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.823026 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.000
local terms energy: -71.633926
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -22.158
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: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -194.526575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.526575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.526575 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.106
local terms energy: -58.812310
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -216.882583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.882583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.882583 (E_RNA)
where:
Base-Base interactions energy: -150.545
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.034
local terms energy: -66.303255
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -16.849
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: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -78.319340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.319340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.319340 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -26.719
Base-Backbone interact. energy: -0.028
local terms energy: -50.416178
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -76.907238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.907238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.907238 (E_RNA)
where:
Base-Base interactions energy: -24.083
where: short stacking energy: -20.323
Base-Backbone interact. energy: -1.898
local terms energy: -50.926632
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -241.138167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.138167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.138167 (E_RNA)
where:
Base-Base interactions energy: -165.208
where: short stacking energy: -70.479
Base-Backbone interact. energy: 0.157
local terms energy: -76.086882
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -19.694
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -230.781838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.781838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.781838 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.607
local terms energy: -79.577156
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -225.224148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224148 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -58.020
Base-Backbone interact. energy: 0.174
local terms energy: -69.408741
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -19.298
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: 135
Temperature: 1.050000
Total energy: -224.671216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.671216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.671216 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.667
local terms energy: -76.916115
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -218.511666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.511666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.511666 (E_RNA)
where:
Base-Base interactions energy: -154.975
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.251
local terms energy: -63.285631
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -216.868585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.868585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.868585 (E_RNA)
where:
Base-Base interactions energy: -143.496
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.108
local terms energy: -73.264752
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.843
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: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -208.593514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.593514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.593514 (E_RNA)
where:
Base-Base interactions energy: -137.385
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.037
local terms energy: -71.171833
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -187.399709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.399709 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.289
local terms energy: -70.460730
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.495
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: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -86.514187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514187 (E_RNA)
where:
Base-Base interactions energy: -31.088
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.226
local terms energy: -55.200147
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -5.193
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -79.049962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.049962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.049962 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -10.173
Base-Backbone interact. energy: -0.284
local terms energy: -35.211823
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -1.558
tors. eta vs tors. theta energy: 3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -236.718447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.718447 (E_RNA)
where:
Base-Base interactions energy: -162.572
where: short stacking energy: -76.227
Base-Backbone interact. energy: -0.048
local terms energy: -74.098625
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -19.745
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: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -237.300865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.300865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.300865 (E_RNA)
where:
Base-Base interactions energy: -153.455
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.181
local terms energy: -83.665518
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -227.942448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.942448 (E_RNA)
where:
Base-Base interactions energy: -147.160
where: short stacking energy: -64.176
Base-Backbone interact. energy: -0.215
local terms energy: -80.567435
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -229.939443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.939443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.939443 (E_RNA)
where:
Base-Base interactions energy: -162.588
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.099
local terms energy: -67.252309
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -18.401
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: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -227.728151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.728151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.728151 (E_RNA)
where:
Base-Base interactions energy: -156.385
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.006
local terms energy: -71.336716
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -189.700512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.700512 (E_RNA)
where:
Base-Base interactions energy: -125.887
where: short stacking energy: -48.064
Base-Backbone interact. energy: -0.040
local terms energy: -63.773729
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -182.925554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.925554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.925554 (E_RNA)
where:
Base-Base interactions energy: -123.711
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.032
local terms energy: -59.182341
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -14.924
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -212.642417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.642417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.642417 (E_RNA)
where:
Base-Base interactions energy: -140.521
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.023
local terms energy: -72.098237
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -78.303188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.303188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.303188 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.920
local terms energy: -41.576446
where:
bonds (distance) C4'-P energy: -7.395
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -105.048765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.048765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.048765 (E_RNA)
where:
Base-Base interactions energy: -57.503
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.363
local terms energy: -47.182548
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -0.372
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: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -236.839873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.839873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.839873 (E_RNA)
where:
Base-Base interactions energy: -160.974
where: short stacking energy: -72.106
Base-Backbone interact. energy: -0.517
local terms energy: -75.348934
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -19.557
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -229.777593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.777593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.777593 (E_RNA)
where:
Base-Base interactions energy: -161.512
where: short stacking energy: -61.157
Base-Backbone interact. energy: -0.160
local terms energy: -68.105752
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.949
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: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -232.678465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.678465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.678465 (E_RNA)
where:
Base-Base interactions energy: -152.664
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.366
local terms energy: -79.649122
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -20.247
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -218.122900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.122900 (E_RNA)
where:
Base-Base interactions energy: -148.196
where: short stacking energy: -58.265
Base-Backbone interact. energy: -0.021
local terms energy: -69.905793
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -216.757997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.757997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.757997 (E_RNA)
where:
Base-Base interactions energy: -143.958
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.038
local terms energy: -72.761918
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -18.236
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: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -176.971540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.971540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.971540 (E_RNA)
where:
Base-Base interactions energy: -111.759
where: short stacking energy: -40.519
Base-Backbone interact. energy: -0.017
local terms energy: -65.195747
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -166.778215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.778215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.778215 (E_RNA)
where:
Base-Base interactions energy: -101.057
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.014
local terms energy: -65.707359
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -15.574
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: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -206.222015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.222015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.222015 (E_RNA)
where:
Base-Base interactions energy: -145.180
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.002
local terms energy: -61.039979
where:
bonds (distance) C4'-P energy: -5.238
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -18.206
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: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -72.451302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.451302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.451302 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -18.767
Base-Backbone interact. energy: -0.264
local terms energy: -49.851554
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -84.666349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666349 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -17.799
Base-Backbone interact. energy: -0.303
local terms energy: -47.688437
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -233.678856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.678856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.678856 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.271
local terms energy: -78.379935
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -237.458263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.458263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.458263 (E_RNA)
where:
Base-Base interactions energy: -159.139
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.505
local terms energy: -77.814597
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -229.001406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.001406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.001406 (E_RNA)
where:
Base-Base interactions energy: -158.001
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.014
local terms energy: -70.986745
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -20.631
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: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -230.610245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.610245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.610245 (E_RNA)
where:
Base-Base interactions energy: -152.569
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.019
local terms energy: -78.022392
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -22.383
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -226.069901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.069901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.069901 (E_RNA)
where:
Base-Base interactions energy: -151.677
where: short stacking energy: -65.865
Base-Backbone interact. energy: -0.003
local terms energy: -74.389980
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -22.257
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -186.489389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.489389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.489389 (E_RNA)
where:
Base-Base interactions energy: -113.377
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.395
local terms energy: -72.717135
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -166.025830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.025830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.025830 (E_RNA)
where:
Base-Base interactions energy: -104.962
where: short stacking energy: -48.178
Base-Backbone interact. energy: 1.163
local terms energy: -62.227009
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -14.891
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -156.814005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.814005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.814005 (E_RNA)
where:
Base-Base interactions energy: -96.161
where: short stacking energy: -46.939
Base-Backbone interact. energy: -0.489
local terms energy: -60.164276
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -8.235
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: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -85.403896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403896 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -37.192
Base-Backbone interact. energy: -0.028
local terms energy: -47.453094
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -76.089915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.089915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.089915 (E_RNA)
where:
Base-Base interactions energy: -31.088
where: short stacking energy: -22.054
Base-Backbone interact. energy: -0.074
local terms energy: -44.928376
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.181
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: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -229.471732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.471732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.471732 (E_RNA)
where:
Base-Base interactions energy: -152.962
where: short stacking energy: -59.325
Base-Backbone interact. energy: 0.120
local terms energy: -76.629512
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -235.482908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.482908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.482908 (E_RNA)
where:
Base-Base interactions energy: -156.225
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.003
local terms energy: -79.254402
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -228.086390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086390 (E_RNA)
where:
Base-Base interactions energy: -154.980
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.167
local terms energy: -72.938944
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -7.087
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: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -220.671803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671803 (E_RNA)
where:
Base-Base interactions energy: -147.930
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.625
local terms energy: -72.116824
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -219.241201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.241201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.241201 (E_RNA)
where:
Base-Base interactions energy: -144.793
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.016
local terms energy: -74.432106
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -164.974501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.974501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.974501 (E_RNA)
where:
Base-Base interactions energy: -103.142
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.117
local terms energy: -61.714944
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -202.032394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.032394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.032394 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.227
local terms energy: -59.697660
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -162.985455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985455 (E_RNA)
where:
Base-Base interactions energy: -104.850
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.242
local terms energy: -57.892897
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -81.835542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.835542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.835542 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.078
local terms energy: -50.241440
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -0.853
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: 139
Temperature: 1.350000
Total energy: -75.323257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.323257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.323257 (E_RNA)
where:
Base-Base interactions energy: -21.459
where: short stacking energy: -21.004
Base-Backbone interact. energy: 4.664
local terms energy: -58.528223
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -240.032175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.032175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.032175 (E_RNA)
where:
Base-Base interactions energy: -159.638
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.003
local terms energy: -80.391406
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -229.911154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911154 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.004
local terms energy: -75.437320
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.773
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: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -227.405548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.405548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.405548 (E_RNA)
where:
Base-Base interactions energy: -153.007
where: short stacking energy: -63.851
Base-Backbone interact. energy: 0.395
local terms energy: -74.792954
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -223.887598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.887598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887598 (E_RNA)
where:
Base-Base interactions energy: -151.199
where: short stacking energy: -63.431
Base-Backbone interact. energy: 0.224
local terms energy: -72.912717
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -224.530012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.530012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530012 (E_RNA)
where:
Base-Base interactions energy: -149.575
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.041
local terms energy: -74.913518
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.319
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: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -189.885633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.885633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.885633 (E_RNA)
where:
Base-Base interactions energy: -122.371
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.001
local terms energy: -67.513437
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -162.540985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.540985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.540985 (E_RNA)
where:
Base-Base interactions energy: -95.838
where: short stacking energy: -53.617
Base-Backbone interact. energy: -0.126
local terms energy: -66.576740
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -214.009970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.009970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.009970 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.021
local terms energy: -64.535586
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -18.926
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: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -80.316990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316990 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -31.620
Base-Backbone interact. energy: -0.354
local terms energy: -48.204598
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -3.319
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: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -70.794631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.794631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.794631 (E_RNA)
where:
Base-Base interactions energy: -27.177
where: short stacking energy: -27.177
Base-Backbone interact. energy: -0.237
local terms energy: -43.379943
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -7.286
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.409
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: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -238.459518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.459518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.459518 (E_RNA)
where:
Base-Base interactions energy: -162.185
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.004
local terms energy: -76.270904
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -233.273649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.273649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.273649 (E_RNA)
where:
Base-Base interactions energy: -157.164
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.057
local terms energy: -76.053168
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -18.011
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: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -224.143312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.143312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.143312 (E_RNA)
where:
Base-Base interactions energy: -156.139
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.040
local terms energy: -67.964375
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -222.087959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.087959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.087959 (E_RNA)
where:
Base-Base interactions energy: -148.125
where: short stacking energy: -65.551
Base-Backbone interact. energy: 0.790
local terms energy: -74.753153
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -18.450
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: 141
Temperature: 1.100000
Total energy: -220.418024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418024 (E_RNA)
where:
Base-Base interactions energy: -145.751
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.064
local terms energy: -74.603208
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -20.274
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -211.273084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.273084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.273084 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.576
local terms energy: -59.991822
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -21.440
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -156.673507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.673507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.673507 (E_RNA)
where:
Base-Base interactions energy: -89.839
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.094
local terms energy: -66.740600
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -13.784
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -194.793708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.793708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.793708 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.130
local terms energy: -60.756009
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -17.302
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -74.655061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.655061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.655061 (E_RNA)
where:
Base-Base interactions energy: -24.875
where: short stacking energy: -24.737
Base-Backbone interact. energy: -0.079
local terms energy: -49.701427
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -74.743062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.743062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.743062 (E_RNA)
where:
Base-Base interactions energy: -20.048
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.179
local terms energy: -54.516836
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -5.088
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: 142
Temperature: 0.900000
Total energy: -230.517155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.517155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.517155 (E_RNA)
where:
Base-Base interactions energy: -154.976
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.038
local terms energy: -75.503072
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -233.405081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.405081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.405081 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.005
local terms energy: -79.258847
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -238.896206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.896206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.896206 (E_RNA)
where:
Base-Base interactions energy: -165.311
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.048
local terms energy: -73.537147
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -19.010
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: 142
Temperature: 1.050000
Total energy: -227.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.753337 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -62.571
Base-Backbone interact. energy: -0.003
local terms energy: -78.092726
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -19.466
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: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -229.633789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.633789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.633789 (E_RNA)
where:
Base-Base interactions energy: -151.480
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.019
local terms energy: -78.134371
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -12.750
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: 142
Temperature: 1.150000
Total energy: -194.749393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.749393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.749393 (E_RNA)
where:
Base-Base interactions energy: -129.397
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.861
local terms energy: -64.491214
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -212.493632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.493632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.493632 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.012
local terms energy: -72.125096
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -17.501
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: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -155.451045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.451045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.451045 (E_RNA)
where:
Base-Base interactions energy: -98.205
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.155
local terms energy: -57.090906
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -11.272
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: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.350764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.350764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.350764 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.185
local terms energy: -50.457722
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -72.656332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.656332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.656332 (E_RNA)
where:
Base-Base interactions energy: -22.224
where: short stacking energy: -20.054
Base-Backbone interact. energy: -0.265
local terms energy: -50.166683
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -234.648114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.648114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.648114 (E_RNA)
where:
Base-Base interactions energy: -160.808
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.031
local terms energy: -73.809319
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.378
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -236.259026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.259026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.259026 (E_RNA)
where:
Base-Base interactions energy: -156.719
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.083
local terms energy: -79.456209
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -230.469443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.469443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.469443 (E_RNA)
where:
Base-Base interactions energy: -158.352
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.010
local terms energy: -72.107785
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -230.715664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.715664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.715664 (E_RNA)
where:
Base-Base interactions energy: -157.909
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.400
local terms energy: -72.407285
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -19.819
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: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -218.749335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.749335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.749335 (E_RNA)
where:
Base-Base interactions energy: -143.628
where: short stacking energy: -67.136
Base-Backbone interact. energy: -0.097
local terms energy: -75.024427
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -21.510
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -217.570660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.570660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.570660 (E_RNA)
where:
Base-Base interactions energy: -146.575
where: short stacking energy: -63.422
Base-Backbone interact. energy: -0.020
local terms energy: -70.975283
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -160.709064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.709064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.709064 (E_RNA)
where:
Base-Base interactions energy: -102.112
where: short stacking energy: -40.231
Base-Backbone interact. energy: -0.496
local terms energy: -58.100598
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -11.050
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: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -144.812890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.812890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.812890 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -47.737
Base-Backbone interact. energy: 0.013
local terms energy: -50.140241
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -9.391
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: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -83.143792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.143792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.143792 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.155
local terms energy: -48.294396
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -106.327251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.327251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.327251 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.187
local terms energy: -57.677290
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -5.934
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: 144
Temperature: 0.900000
Total energy: -241.385679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.385679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.385679 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.330
local terms energy: -80.306248
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -9.674
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -237.337872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.337872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.337872 (E_RNA)
where:
Base-Base interactions energy: -163.328
where: short stacking energy: -65.927
Base-Backbone interact. energy: 0.340
local terms energy: -74.350156
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -235.956009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.956009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.956009 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.561
local terms energy: -78.567264
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -224.743301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.743301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.743301 (E_RNA)
where:
Base-Base interactions energy: -152.154
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.709
local terms energy: -71.880898
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.753
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -222.303426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.303426 (E_RNA)
where:
Base-Base interactions energy: -151.281
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.049
local terms energy: -70.973820
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -16.483
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -222.223385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.223385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.223385 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.003
local terms energy: -72.177483
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -167.815461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.815461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.815461 (E_RNA)
where:
Base-Base interactions energy: -112.646
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.136
local terms energy: -55.033978
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -7.009
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: 144
Temperature: 1.250000
Total energy: -164.317913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.317913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.317913 (E_RNA)
where:
Base-Base interactions energy: -95.217
where: short stacking energy: -37.882
Base-Backbone interact. energy: -0.007
local terms energy: -69.094488
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -8.442
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: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -125.162926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.162926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.162926 (E_RNA)
where:
Base-Base interactions energy: -67.853
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.898
local terms energy: -56.411733
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -80.206166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.206166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.206166 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -30.981
Base-Backbone interact. energy: -0.008
local terms energy: -40.371461
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -243.846241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.846241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.846241 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.385
local terms energy: -81.557371
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -12.837
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: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -232.813288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.813288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.813288 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.003
local terms energy: -80.843391
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -20.472
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -234.557484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.557484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.557484 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.002
local terms energy: -73.801638
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -227.335632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335632 (E_RNA)
where:
Base-Base interactions energy: -150.869
where: short stacking energy: -63.121
Base-Backbone interact. energy: 0.456
local terms energy: -76.922077
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -213.102809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.102809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.102809 (E_RNA)
where:
Base-Base interactions energy: -149.729
where: short stacking energy: -63.404
Base-Backbone interact. energy: 0.868
local terms energy: -64.241251
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -207.237942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.237942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.237942 (E_RNA)
where:
Base-Base interactions energy: -136.258
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.730
local terms energy: -70.249681
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -176.971345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.971345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.971345 (E_RNA)
where:
Base-Base interactions energy: -107.972
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.464
local terms energy: -68.534846
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -159.130802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.130802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.130802 (E_RNA)
where:
Base-Base interactions energy: -97.281
where: short stacking energy: -49.862
Base-Backbone interact. energy: 1.995
local terms energy: -63.844956
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -11.129
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: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -74.942763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.942763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.942763 (E_RNA)
where:
Base-Base interactions energy: -23.725
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.121
local terms energy: -51.096607
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -73.183188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.183188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.183188 (E_RNA)
where:
Base-Base interactions energy: -22.977
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.309
local terms energy: -49.896914
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: 1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -242.540944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.540944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.540944 (E_RNA)
where:
Base-Base interactions energy: -161.754
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.019
local terms energy: -80.767716
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -231.793169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.793169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.793169 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -69.764
Base-Backbone interact. energy: 0.318
local terms energy: -73.541136
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.301
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: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -227.215019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.215019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.215019 (E_RNA)
where:
Base-Base interactions energy: -147.741
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.174
local terms energy: -79.300307
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -237.373621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.373621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.373621 (E_RNA)
where:
Base-Base interactions energy: -155.474
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.004
local terms energy: -81.895626
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -196.838011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.838011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838011 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.051
local terms energy: -72.669121
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -14.626
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: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -197.500084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.500084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.500084 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.103
local terms energy: -61.585941
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -199.231041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.231041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.231041 (E_RNA)
where:
Base-Base interactions energy: -132.705
where: short stacking energy: -55.852
Base-Backbone interact. energy: 1.090
local terms energy: -67.616035
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -14.643
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: 146
Temperature: 1.250000
Total energy: -157.325645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.325645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.325645 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -38.323
Base-Backbone interact. energy: -0.209
local terms energy: -51.431064
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -6.079
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -69.923651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.923651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.923651 (E_RNA)
where:
Base-Base interactions energy: -26.397
where: short stacking energy: -25.801
Base-Backbone interact. energy: -0.321
local terms energy: -43.205456
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -83.446325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.446325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.446325 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -30.112
Base-Backbone interact. energy: -0.032
local terms energy: -46.022145
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -1.089
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: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -232.754232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.754232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.754232 (E_RNA)
where:
Base-Base interactions energy: -156.469
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.037
local terms energy: -76.248209
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -236.486445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.486445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.486445 (E_RNA)
where:
Base-Base interactions energy: -160.148
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.020
local terms energy: -76.317760
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -20.933
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: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -226.531516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.531516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.531516 (E_RNA)
where:
Base-Base interactions energy: -153.364
where: short stacking energy: -67.917
Base-Backbone interact. energy: -0.321
local terms energy: -72.846173
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -18.517
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -229.816876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.816876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.816876 (E_RNA)
where:
Base-Base interactions energy: -158.281
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.020
local terms energy: -71.516210
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -8.544
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: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -220.342260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.342260 (E_RNA)
where:
Base-Base interactions energy: -142.539
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.019
local terms energy: -77.783647
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -218.256138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.256138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.256138 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.156
local terms energy: -68.193511
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -20.112
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: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -208.149256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.149256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.149256 (E_RNA)
where:
Base-Base interactions energy: -138.080
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.001
local terms energy: -70.067951
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -19.022
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: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -131.876146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.876146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.876146 (E_RNA)
where:
Base-Base interactions energy: -81.908
where: short stacking energy: -33.537
Base-Backbone interact. energy: -0.632
local terms energy: -49.335434
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -80.856825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.856825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.856825 (E_RNA)
where:
Base-Base interactions energy: -29.719
where: short stacking energy: -25.706
Base-Backbone interact. energy: -0.052
local terms energy: -51.085487
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.562736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562736 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -23.343
Base-Backbone interact. energy: -0.005
local terms energy: -42.713317
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -240.360897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.360897 (E_RNA)
where:
Base-Base interactions energy: -157.560
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.716
local terms energy: -82.084665
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -231.278878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.278878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.278878 (E_RNA)
where:
Base-Base interactions energy: -158.877
where: short stacking energy: -66.255
Base-Backbone interact. energy: -0.264
local terms energy: -72.137699
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -230.494323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.494323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.494323 (E_RNA)
where:
Base-Base interactions energy: -156.591
where: short stacking energy: -65.955
Base-Backbone interact. energy: -0.007
local terms energy: -73.897070
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -21.400
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -225.294155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.294155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.294155 (E_RNA)
where:
Base-Base interactions energy: -153.147
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.001
local terms energy: -72.146134
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -215.073382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073382 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.109
local terms energy: -69.418347
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -221.971494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.971494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.971494 (E_RNA)
where:
Base-Base interactions energy: -148.130
where: short stacking energy: -66.366
Base-Backbone interact. energy: -0.933
local terms energy: -72.908488
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -213.226134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.226134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.226134 (E_RNA)
where:
Base-Base interactions energy: -143.231
where: short stacking energy: -61.407
Base-Backbone interact. energy: -0.472
local terms energy: -69.522781
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -155.465685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.465685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.465685 (E_RNA)
where:
Base-Base interactions energy: -98.818
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.344
local terms energy: -56.303046
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -88.965308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.965308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.965308 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.370
local terms energy: -51.920514
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.522
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: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -77.350189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.350189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.350189 (E_RNA)
where:
Base-Base interactions energy: -23.266
where: short stacking energy: -21.516
Base-Backbone interact. energy: -0.240
local terms energy: -53.843846
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -239.985571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.985571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.985571 (E_RNA)
where:
Base-Base interactions energy: -162.048
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.006
local terms energy: -77.931858
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -19.193
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: 149
Temperature: 0.950000
Total energy: -238.269403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.269403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.269403 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.001
local terms energy: -74.613836
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -236.467627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.467627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.467627 (E_RNA)
where:
Base-Base interactions energy: -158.054
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.165
local terms energy: -78.248606
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -230.390535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.390535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.390535 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.001
local terms energy: -70.775573
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -228.780501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.780501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.780501 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.307
local terms energy: -70.497938
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -21.109
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: 149
Temperature: 1.150000
Total energy: -227.382845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.382845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.382845 (E_RNA)
where:
Base-Base interactions energy: -148.257
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.057
local terms energy: -79.068866
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -217.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724607 (E_RNA)
where:
Base-Base interactions energy: -147.503
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.220
local terms energy: -70.001942
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -148.305338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.305338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.305338 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -46.675
Base-Backbone interact. energy: 1.564
local terms energy: -44.034115
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -7.262
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -8.337
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: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -73.440050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.440050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.440050 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -26.362
Base-Backbone interact. energy: -0.166
local terms energy: -46.912469
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -73.168220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.168220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.168220 (E_RNA)
where:
Base-Base interactions energy: -17.984
where: short stacking energy: -17.722
Base-Backbone interact. energy: -0.929
local terms energy: -54.255347
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -240.792536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.792536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.792536 (E_RNA)
where:
Base-Base interactions energy: -162.866
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.281
local terms energy: -77.646092
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -233.264058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.264058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.264058 (E_RNA)
where:
Base-Base interactions energy: -159.154
where: short stacking energy: -69.010
Base-Backbone interact. energy: -0.008
local terms energy: -74.102000
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.399
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: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -240.169391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.169391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.169391 (E_RNA)
where:
Base-Base interactions energy: -160.354
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.000
local terms energy: -79.815668
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -218.306093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.306093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.306093 (E_RNA)
where:
Base-Base interactions energy: -142.495
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.042
local terms energy: -75.768956
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -7.187
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: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -229.097805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097805 (E_RNA)
where:
Base-Base interactions energy: -152.335
where: short stacking energy: -64.338
Base-Backbone interact. energy: -1.811
local terms energy: -74.951930
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -18.411
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -220.998470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998470 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -60.783
Base-Backbone interact. energy: -1.027
local terms energy: -76.711670
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -218.954092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.954092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.954092 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -64.061
Base-Backbone interact. energy: -0.002
local terms energy: -75.505560
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -143.913992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.913992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.913992 (E_RNA)
where:
Base-Base interactions energy: -86.660
where: short stacking energy: -38.153
Base-Backbone interact. energy: -0.786
local terms energy: -56.468282
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -8.158
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -75.777314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.777314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.777314 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -25.721
Base-Backbone interact. energy: 0.202
local terms energy: -50.257632
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -80.885251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885251 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -35.192
Base-Backbone interact. energy: -0.072
local terms energy: -48.890258
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -6.896
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: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -240.554750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.554750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.554750 (E_RNA)
where:
Base-Base interactions energy: -159.776
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.047
local terms energy: -80.730979
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -20.894
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: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -232.955229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.955229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.955229 (E_RNA)
where:
Base-Base interactions energy: -156.365
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.027
local terms energy: -76.562937
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.924
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: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -231.296291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.296291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.296291 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.003
local terms energy: -79.564717
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -20.964
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: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -224.325195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.325195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.325195 (E_RNA)
where:
Base-Base interactions energy: -153.455
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.284
local terms energy: -70.586311
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -9.106
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -217.955260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.955260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.955260 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -65.963
Base-Backbone interact. energy: -0.286
local terms energy: -68.955948
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -19.632
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -215.077962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.077962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.077962 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.064
local terms energy: -73.573775
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -19.431
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: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -212.718288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718288 (E_RNA)
where:
Base-Base interactions energy: -141.215
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.003
local terms energy: -71.500804
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -144.348382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.348382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.348382 (E_RNA)
where:
Base-Base interactions energy: -92.525
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.147
local terms energy: -51.676704
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -8.566
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: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -83.138305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.138305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.138305 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.200
local terms energy: -50.639306
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -82.889388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889388 (E_RNA)
where:
Base-Base interactions energy: -39.332
where: short stacking energy: -24.688
Base-Backbone interact. energy: -0.583
local terms energy: -42.974098
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: 2.963
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: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -243.743761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.743761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.743761 (E_RNA)
where:
Base-Base interactions energy: -166.169
where: short stacking energy: -72.775
Base-Backbone interact. energy: -0.003
local terms energy: -77.572094
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -237.874606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.874606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.874606 (E_RNA)
where:
Base-Base interactions energy: -155.277
where: short stacking energy: -67.976
Base-Backbone interact. energy: -0.001
local terms energy: -82.596555
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -228.884135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.884135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.884135 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -74.179
Base-Backbone interact. energy: -0.001
local terms energy: -79.903061
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -12.619
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: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -220.197581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197581 (E_RNA)
where:
Base-Base interactions energy: -153.014
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.292
local terms energy: -66.891813
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -16.761
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: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -222.307388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.307388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.307388 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.006
local terms energy: -76.239002
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -226.409636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.409636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.409636 (E_RNA)
where:
Base-Base interactions energy: -151.665
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.043
local terms energy: -74.701914
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -194.479036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479036 (E_RNA)
where:
Base-Base interactions energy: -128.212
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.055
local terms energy: -66.212407
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -161.208606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.208606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.208606 (E_RNA)
where:
Base-Base interactions energy: -100.982
where: short stacking energy: -33.461
Base-Backbone interact. energy: 0.357
local terms energy: -60.583369
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -10.574
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: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -97.107305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107305 (E_RNA)
where:
Base-Base interactions energy: -51.416
where: short stacking energy: -28.660
Base-Backbone interact. energy: -0.248
local terms energy: -45.444122
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -4.937
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: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -81.826092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.826092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.826092 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -25.687
Base-Backbone interact. energy: -0.875
local terms energy: -44.690580
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -11.787
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: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -241.118783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.118783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.118783 (E_RNA)
where:
Base-Base interactions energy: -162.110
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.292
local terms energy: -78.716938
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -235.715422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.715422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.715422 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -65.228
Base-Backbone interact. energy: -0.055
local terms energy: -81.701757
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -20.827
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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -226.545624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.545624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.545624 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.028
local terms energy: -79.096863
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -20.424
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -223.264924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.264924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.264924 (E_RNA)
where:
Base-Base interactions energy: -149.807
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.051
local terms energy: -73.406273
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -221.345291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.345291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345291 (E_RNA)
where:
Base-Base interactions energy: -152.426
where: short stacking energy: -65.523
Base-Backbone interact. energy: 0.183
local terms energy: -69.101803
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -208.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.655441 (E_RNA)
where:
Base-Base interactions energy: -133.708
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.141
local terms energy: -74.806149
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -205.034002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.034002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.034002 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.643
local terms energy: -67.053273
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -14.349
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: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -196.259854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.259854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.259854 (E_RNA)
where:
Base-Base interactions energy: -137.567
where: short stacking energy: -48.017
Base-Backbone interact. energy: -0.202
local terms energy: -58.491114
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -73.570886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.570886 (E_RNA)
where:
Base-Base interactions energy: -24.854
where: short stacking energy: -20.142
Base-Backbone interact. energy: -0.883
local terms energy: -47.834687
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -74.856219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.856219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.856219 (E_RNA)
where:
Base-Base interactions energy: -20.940
where: short stacking energy: -17.722
Base-Backbone interact. energy: 0.887
local terms energy: -54.803182
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -4.048
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: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -230.024079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.024079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.024079 (E_RNA)
where:
Base-Base interactions energy: -148.609
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.033
local terms energy: -81.381204
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.944
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: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -230.450826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.450826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.450826 (E_RNA)
where:
Base-Base interactions energy: -152.744
where: short stacking energy: -68.875
Base-Backbone interact. energy: -0.079
local terms energy: -77.628329
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -231.925980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.925980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.925980 (E_RNA)
where:
Base-Base interactions energy: -162.409
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.002
local terms energy: -69.514301
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.361
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: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -223.355652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355652 (E_RNA)
where:
Base-Base interactions energy: -144.803
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.575
local terms energy: -77.978124
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -221.850814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.850814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.850814 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.331
local terms energy: -66.695331
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.713
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -204.905223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905223 (E_RNA)
where:
Base-Base interactions energy: -138.750
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.251
local terms energy: -65.903935
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -216.119087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119087 (E_RNA)
where:
Base-Base interactions energy: -143.305
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.660
local terms energy: -72.153488
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.565
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: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -207.585763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.585763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.585763 (E_RNA)
where:
Base-Base interactions energy: -141.302
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.183
local terms energy: -66.100980
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -88.488718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.488718 (E_RNA)
where:
Base-Base interactions energy: -36.150
where: short stacking energy: -24.238
Base-Backbone interact. energy: -0.032
local terms energy: -52.306364
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -84.150324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150324 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -25.614
Base-Backbone interact. energy: 0.171
local terms energy: -48.841473
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -238.180666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.180666 (E_RNA)
where:
Base-Base interactions energy: -157.511
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.026
local terms energy: -80.644101
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -232.849570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.849570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.849570 (E_RNA)
where:
Base-Base interactions energy: -158.133
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.022
local terms energy: -74.694542
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -227.535298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.535298 (E_RNA)
where:
Base-Base interactions energy: -151.658
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.122
local terms energy: -75.755129
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -234.883099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.883099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.883099 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.104
local terms energy: -75.248129
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -221.420546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.420546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.420546 (E_RNA)
where:
Base-Base interactions energy: -148.909
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.117
local terms energy: -72.394427
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -15.144
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -217.393080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.393080 (E_RNA)
where:
Base-Base interactions energy: -146.442
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.086
local terms energy: -70.864962
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -216.660978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.660978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660978 (E_RNA)
where:
Base-Base interactions energy: -146.053
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.096
local terms energy: -70.512360
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -207.560876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.560876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.560876 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.080
local terms energy: -69.191782
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -20.543
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: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -78.853370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.853370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.853370 (E_RNA)
where:
Base-Base interactions energy: -25.917
where: short stacking energy: -22.110
Base-Backbone interact. energy: -0.161
local terms energy: -52.775578
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -79.778569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778569 (E_RNA)
where:
Base-Base interactions energy: -25.888
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.146
local terms energy: -53.744032
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -238.194111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.194111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.194111 (E_RNA)
where:
Base-Base interactions energy: -159.190
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.015
local terms energy: -78.988876
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -236.042426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.042426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.042426 (E_RNA)
where:
Base-Base interactions energy: -166.162
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.185
local terms energy: -69.695360
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -228.209694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.209694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.209694 (E_RNA)
where:
Base-Base interactions energy: -153.536
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.022
local terms energy: -74.651411
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -215.677491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677491 (E_RNA)
where:
Base-Base interactions energy: -154.607
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.096
local terms energy: -60.974767
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -215.617758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.617758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.617758 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.053
local terms energy: -68.111628
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -214.127743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127743 (E_RNA)
where:
Base-Base interactions energy: -145.345
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.131
local terms energy: -68.651876
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -209.243929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.243929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.243929 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.110
local terms energy: -75.387616
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -15.648
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -204.137282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.137282 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -62.021
Base-Backbone interact. energy: -0.012
local terms energy: -66.878043
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -86.657033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.657033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.657033 (E_RNA)
where:
Base-Base interactions energy: -43.665
where: short stacking energy: -24.912
Base-Backbone interact. energy: 0.094
local terms energy: -43.085568
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -86.260456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.260456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.260456 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.072
local terms energy: -48.668911
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -3.744
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: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -251.398976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.398976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.398976 (E_RNA)
where:
Base-Base interactions energy: -166.479
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.043
local terms energy: -84.876112
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -230.430760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.430760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.430760 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -61.827
Base-Backbone interact. energy: -0.174
local terms energy: -77.148982
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -228.936526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.936526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.936526 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.011
local terms energy: -76.917381
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -227.788929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.788929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.788929 (E_RNA)
where:
Base-Base interactions energy: -148.077
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.859
local terms energy: -78.853655
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -21.530
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: 157
Temperature: 1.100000
Total energy: -221.271651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.271651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.271651 (E_RNA)
where:
Base-Base interactions energy: -145.634
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.013
local terms energy: -75.623878
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -221.856938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.856938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.856938 (E_RNA)
where:
Base-Base interactions energy: -154.839
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.007
local terms energy: -67.010779
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -21.060
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: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -203.288609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288609 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.037
local terms energy: -57.690710
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -214.060596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.060596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.060596 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.072
local terms energy: -64.230016
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -15.240
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -88.403171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403171 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.026
local terms energy: -52.148878
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -80.762498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.762498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.762498 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -32.831
Base-Backbone interact. energy: -0.369
local terms energy: -38.013114
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -4.357
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: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -241.049527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.049527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.049527 (E_RNA)
where:
Base-Base interactions energy: -159.458
where: short stacking energy: -69.053
Base-Backbone interact. energy: -0.022
local terms energy: -81.569447
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -237.380231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.380231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.380231 (E_RNA)
where:
Base-Base interactions energy: -158.681
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.066
local terms energy: -78.632913
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -21.239
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -223.239674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.239674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.239674 (E_RNA)
where:
Base-Base interactions energy: -145.969
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.160
local terms energy: -77.110683
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -20.151
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: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -234.312566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.312566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.312566 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.296
local terms energy: -79.829740
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -219.196019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.196019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.196019 (E_RNA)
where:
Base-Base interactions energy: -147.308
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.010
local terms energy: -71.877729
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -18.773
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -200.252663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252663 (E_RNA)
where:
Base-Base interactions energy: -137.762
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.630
local terms energy: -61.860289
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -215.849229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.849229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.849229 (E_RNA)
where:
Base-Base interactions energy: -149.324
where: short stacking energy: -60.591
Base-Backbone interact. energy: -0.017
local terms energy: -66.507433
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -219.391048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391048 (E_RNA)
where:
Base-Base interactions energy: -149.581
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.090
local terms energy: -69.719746
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -87.745016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745016 (E_RNA)
where:
Base-Base interactions energy: -38.265
where: short stacking energy: -37.928
Base-Backbone interact. energy: -0.223
local terms energy: -49.256221
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -69.736940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.736940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.736940 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.218
local terms energy: -39.622629
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: 4.562
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: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -240.168931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.168931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.168931 (E_RNA)
where:
Base-Base interactions energy: -163.596
where: short stacking energy: -70.011
Base-Backbone interact. energy: -0.067
local terms energy: -76.506549
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -236.621889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.621889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.621889 (E_RNA)
where:
Base-Base interactions energy: -159.396
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.809
local terms energy: -76.416988
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -235.296915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.296915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.296915 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.000
local terms energy: -76.966443
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -228.470069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470069 (E_RNA)
where:
Base-Base interactions energy: -155.534
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.003
local terms energy: -72.932993
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -227.712872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.712872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.712872 (E_RNA)
where:
Base-Base interactions energy: -150.333
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.050
local terms energy: -77.329190
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -18.908
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -217.197037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.197037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197037 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.046
local terms energy: -72.263459
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -200.798741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.798741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.798741 (E_RNA)
where:
Base-Base interactions energy: -139.852
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.166
local terms energy: -60.780494
where:
bonds (distance) C4'-P energy: -6.803
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -215.640062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.640062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.640062 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.240
local terms energy: -70.952844
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.825
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: 9, replica: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -92.925665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925665 (E_RNA)
where:
Base-Base interactions energy: -46.969
where: short stacking energy: -30.142
Base-Backbone interact. energy: -0.039
local terms energy: -45.917576
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.179
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -74.677191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.677191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.677191 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -21.103
Base-Backbone interact. energy: 1.623
local terms energy: -48.943136
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -237.962584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.962584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.962584 (E_RNA)
where:
Base-Base interactions energy: -158.904
where: short stacking energy: -75.790
Base-Backbone interact. energy: -0.064
local terms energy: -78.994004
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -234.108517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.108517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.108517 (E_RNA)
where:
Base-Base interactions energy: -153.826
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.004
local terms energy: -80.277662
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -237.660580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.660580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.660580 (E_RNA)
where:
Base-Base interactions energy: -160.184
where: short stacking energy: -78.427
Base-Backbone interact. energy: -0.000
local terms energy: -77.476948
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -222.367537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.367537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.367537 (E_RNA)
where:
Base-Base interactions energy: -148.717
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.878
local terms energy: -72.772387
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.276
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: 160
Temperature: 1.100000
Total energy: -221.503537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.503537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.503537 (E_RNA)
where:
Base-Base interactions energy: -151.279
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.158
local terms energy: -70.066402
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -229.281429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.281429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.281429 (E_RNA)
where:
Base-Base interactions energy: -152.136
where: short stacking energy: -68.792
Base-Backbone interact. energy: -0.009
local terms energy: -77.135563
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -219.836475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.836475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.836475 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.399
local terms energy: -73.546251
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.676
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: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -192.583633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.583633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.583633 (E_RNA)
where:
Base-Base interactions energy: -134.240
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.910
local terms energy: -57.433682
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -81.995665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.995665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.995665 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -25.726
Base-Backbone interact. energy: -0.230
local terms energy: -56.040056
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -70.433241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.433241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.433241 (E_RNA)
where:
Base-Base interactions energy: -26.928
where: short stacking energy: -25.225
Base-Backbone interact. energy: 2.481
local terms energy: -45.986754
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -236.022671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.022671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.022671 (E_RNA)
where:
Base-Base interactions energy: -158.437
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.038
local terms energy: -77.548262
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -231.871203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.871203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.871203 (E_RNA)
where:
Base-Base interactions energy: -155.963
where: short stacking energy: -75.146
Base-Backbone interact. energy: -0.003
local terms energy: -75.904962
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -234.014840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.014840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.014840 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.004
local terms energy: -72.563782
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -232.550527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.550527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.550527 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.072
local terms energy: -77.224515
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -8.110
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -217.981685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.981685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981685 (E_RNA)
where:
Base-Base interactions energy: -140.927
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.018
local terms energy: -77.036818
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.929
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: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -219.781902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.781902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.781902 (E_RNA)
where:
Base-Base interactions energy: -147.582
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.016
local terms energy: -72.183453
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -215.892217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.892217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.892217 (E_RNA)
where:
Base-Base interactions energy: -142.195
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.083
local terms energy: -73.614422
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -7.166
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: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -164.122570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.122570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.122570 (E_RNA)
where:
Base-Base interactions energy: -104.697
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.047
local terms energy: -59.378193
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -10.534
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -87.250647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.250647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.250647 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -34.934
Base-Backbone interact. energy: -0.133
local terms energy: -50.971696
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -74.804048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.804048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.804048 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -14.394
Base-Backbone interact. energy: -0.197
local terms energy: -47.401158
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -0.374
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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -239.114080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114080 (E_RNA)
where:
Base-Base interactions energy: -157.362
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.011
local terms energy: -81.741867
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -231.283772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.283772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.283772 (E_RNA)
where:
Base-Base interactions energy: -154.477
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.228
local terms energy: -76.578792
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -10.928
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: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -231.302274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.302274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.302274 (E_RNA)
where:
Base-Base interactions energy: -154.799
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.014
local terms energy: -76.488947
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -230.366994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.366994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.366994 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.006
local terms energy: -77.772415
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -230.185589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.185589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.185589 (E_RNA)
where:
Base-Base interactions energy: -156.954
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.133
local terms energy: -73.099072
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -13.415
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: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -219.588101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588101 (E_RNA)
where:
Base-Base interactions energy: -150.861
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.228
local terms energy: -68.498405
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -20.996
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: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -206.718538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.718538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.718538 (E_RNA)
where:
Base-Base interactions energy: -135.538
where: short stacking energy: -60.132
Base-Backbone interact. energy: -0.024
local terms energy: -71.156590
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -175.998951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.998951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.998951 (E_RNA)
where:
Base-Base interactions energy: -119.766
where: short stacking energy: -47.271
Base-Backbone interact. energy: -0.224
local terms energy: -56.008860
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -86.796312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796312 (E_RNA)
where:
Base-Base interactions energy: -29.568
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.107
local terms energy: -57.120835
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -77.420621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.420621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.420621 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.087
local terms energy: -42.796429
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -238.099466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.099466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.099466 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.006
local terms energy: -81.994743
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -24.182
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -231.081516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.081516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.081516 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -72.154
Base-Backbone interact. energy: -0.001
local terms energy: -79.274710
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -19.792
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: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -228.629430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.629430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.629430 (E_RNA)
where:
Base-Base interactions energy: -154.699
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.466
local terms energy: -73.464167
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -21.442
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: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -229.171017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.171017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.171017 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.079
local terms energy: -79.855284
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -20.246
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -216.681017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681017 (E_RNA)
where:
Base-Base interactions energy: -146.696
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.001
local terms energy: -69.983603
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -221.932508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.932508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.932508 (E_RNA)
where:
Base-Base interactions energy: -151.220
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.002
local terms energy: -70.710318
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -18.920
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -217.060872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.060872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060872 (E_RNA)
where:
Base-Base interactions energy: -136.778
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.590
local terms energy: -79.692436
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -88.565233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.565233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.565233 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.205
local terms energy: -53.840661
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -3.008
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: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -191.528515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.528515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.528515 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.890
local terms energy: -68.814764
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.732557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732557 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.004
local terms energy: -54.529458
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -236.469089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.469089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.469089 (E_RNA)
where:
Base-Base interactions energy: -158.794
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.012
local terms energy: -77.662991
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -231.301809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301809 (E_RNA)
where:
Base-Base interactions energy: -152.714
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.085
local terms energy: -78.502816
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -230.300863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.300863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.300863 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.001
local terms energy: -78.703224
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -19.725
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -224.860670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860670 (E_RNA)
where:
Base-Base interactions energy: -151.247
where: short stacking energy: -63.929
Base-Backbone interact. energy: 0.223
local terms energy: -73.836557
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -223.228220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.228220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.228220 (E_RNA)
where:
Base-Base interactions energy: -160.767
where: short stacking energy: -59.574
Base-Backbone interact. energy: 0.348
local terms energy: -62.809349
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -16.043
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: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -220.413903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413903 (E_RNA)
where:
Base-Base interactions energy: -146.397
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.533
local terms energy: -73.483646
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -18.275
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: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -212.590691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.590691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.590691 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.030
local terms energy: -69.918001
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.817
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: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.772064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.772064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.772064 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.154
local terms energy: -50.287627
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -3.948
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: 164
Temperature: 1.300000
Total energy: -166.082173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.082173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.082173 (E_RNA)
where:
Base-Base interactions energy: -110.127
where: short stacking energy: -46.406
Base-Backbone interact. energy: -0.071
local terms energy: -55.883637
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -65.911643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.911643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.911643 (E_RNA)
where:
Base-Base interactions energy: -27.222
where: short stacking energy: -15.577
Base-Backbone interact. energy: -0.058
local terms energy: -38.631633
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -235.771066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.771066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.771066 (E_RNA)
where:
Base-Base interactions energy: -162.272
where: short stacking energy: -60.143
Base-Backbone interact. energy: 0.017
local terms energy: -73.516381
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.154
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: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -238.372987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.372987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.372987 (E_RNA)
where:
Base-Base interactions energy: -166.019
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.101
local terms energy: -72.252438
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -232.137174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.137174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.137174 (E_RNA)
where:
Base-Base interactions energy: -152.126
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.002
local terms energy: -80.008968
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -232.276046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.276046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.276046 (E_RNA)
where:
Base-Base interactions energy: -154.930
where: short stacking energy: -60.484
Base-Backbone interact. energy: -0.006
local terms energy: -77.340279
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -22.196
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: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -215.024612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.024612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.024612 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.064
local terms energy: -67.325880
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -6.496
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -216.804389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.804389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.804389 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.076
local terms energy: -70.051398
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -209.206381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.206381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.206381 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.101
local terms energy: -67.589944
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -18.044
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: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -155.653532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.653532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.653532 (E_RNA)
where:
Base-Base interactions energy: -93.616
where: short stacking energy: -42.547
Base-Backbone interact. energy: -0.532
local terms energy: -61.505566
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -9.427
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: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -82.582904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582904 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -24.655
Base-Backbone interact. energy: -0.989
local terms energy: -53.626806
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -3.734
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: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -64.236790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.236790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.236790 (E_RNA)
where:
Base-Base interactions energy: -21.252
where: short stacking energy: -13.558
Base-Backbone interact. energy: 0.617
local terms energy: -43.601759
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -236.903813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.903813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.903813 (E_RNA)
where:
Base-Base interactions energy: -158.795
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.016
local terms energy: -78.092267
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.689
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: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -242.063398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.063398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.063398 (E_RNA)
where:
Base-Base interactions energy: -169.962
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.135
local terms energy: -71.966293
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -228.307118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.307118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.307118 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.190
local terms energy: -72.844452
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -18.508
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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -229.621825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.621825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.621825 (E_RNA)
where:
Base-Base interactions energy: -155.735
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.104
local terms energy: -73.782791
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.555
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: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -225.667592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.667592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.667592 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -69.493
Base-Backbone interact. energy: 1.389
local terms energy: -74.716575
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -218.217579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.217579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.217579 (E_RNA)
where:
Base-Base interactions energy: -144.244
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.372
local terms energy: -73.601887
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -211.918437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.918437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.918437 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.034
local terms energy: -66.561640
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -18.891
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: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -152.848637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.848637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.848637 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -43.058
Base-Backbone interact. energy: 5.987
local terms energy: -65.339014
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.295
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: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -75.725040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.725040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.725040 (E_RNA)
where:
Base-Base interactions energy: -26.506
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.165
local terms energy: -49.053667
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -70.029069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.029069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.029069 (E_RNA)
where:
Base-Base interactions energy: -21.675
where: short stacking energy: -21.675
Base-Backbone interact. energy: -0.069
local terms energy: -48.285942
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -2.310
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -242.630148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.630148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.630148 (E_RNA)
where:
Base-Base interactions energy: -163.495
where: short stacking energy: -71.988
Base-Backbone interact. energy: -0.002
local terms energy: -79.133743
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -21.816
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -226.777878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.777878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.777878 (E_RNA)
where:
Base-Base interactions energy: -151.837
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.080
local terms energy: -74.860956
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -16.538
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: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -225.299541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.299541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.299541 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.019
local terms energy: -77.021688
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -224.341225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341225 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.100
local terms energy: -72.863967
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -218.934743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.934743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.934743 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.069
local terms energy: -71.246183
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -215.107643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.107643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.107643 (E_RNA)
where:
Base-Base interactions energy: -140.110
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.725
local terms energy: -74.272953
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -208.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.747929 (E_RNA)
where:
Base-Base interactions energy: -151.738
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.012
local terms energy: -56.998245
where:
bonds (distance) C4'-P energy: -4.948
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -138.202950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.202950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.202950 (E_RNA)
where:
Base-Base interactions energy: -85.561
where: short stacking energy: -42.660
Base-Backbone interact. energy: -0.002
local terms energy: -52.639586
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -12.279
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: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -83.791209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791209 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.159
local terms energy: -46.575989
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -4.959
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -78.914146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914146 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.270
local terms energy: -43.240514
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -1.889
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -240.203546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.203546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.203546 (E_RNA)
where:
Base-Base interactions energy: -161.676
where: short stacking energy: -73.294
Base-Backbone interact. energy: -0.025
local terms energy: -78.502074
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -224.208217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208217 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.061
local terms energy: -73.039633
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -235.096935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.096935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.096935 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.014
local terms energy: -80.175479
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -228.296928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.296928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.296928 (E_RNA)
where:
Base-Base interactions energy: -153.564
where: short stacking energy: -71.478
Base-Backbone interact. energy: -0.069
local terms energy: -74.663964
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -24.445
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: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -215.846353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.846353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.846353 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.591
local terms energy: -68.598743
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -204.171972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.171972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.171972 (E_RNA)
where:
Base-Base interactions energy: -135.460
where: short stacking energy: -61.212
Base-Backbone interact. energy: 1.129
local terms energy: -69.841258
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -17.436
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -154.247555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.247555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.247555 (E_RNA)
where:
Base-Base interactions energy: -97.134
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.275
local terms energy: -56.838235
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -211.786033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.786033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.786033 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.004
local terms energy: -64.187764
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.325
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: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -76.722934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.722934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.722934 (E_RNA)
where:
Base-Base interactions energy: -28.653
where: short stacking energy: -21.114
Base-Backbone interact. energy: -0.335
local terms energy: -47.734889
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -0.126
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: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -84.704609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704609 (E_RNA)
where:
Base-Base interactions energy: -27.896
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.080
local terms energy: -56.729400
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -242.049008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.049008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.049008 (E_RNA)
where:
Base-Base interactions energy: -157.661
where: short stacking energy: -75.234
Base-Backbone interact. energy: -0.047
local terms energy: -84.340810
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -14.190
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -235.004462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.004462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.004462 (E_RNA)
where:
Base-Base interactions energy: -154.261
where: short stacking energy: -70.391
Base-Backbone interact. energy: -0.001
local terms energy: -80.742599
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -22.671
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: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -225.905750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.905750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.905750 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.291
local terms energy: -73.318990
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -20.578
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: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -231.431139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.431139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.431139 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -60.922
Base-Backbone interact. energy: -0.029
local terms energy: -78.647980
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -13.023
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: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -217.369271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.369271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.369271 (E_RNA)
where:
Base-Base interactions energy: -146.701
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.065
local terms energy: -70.602631
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -185.486340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.486340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.486340 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.132
local terms energy: -64.386729
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -162.587029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.587029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.587029 (E_RNA)
where:
Base-Base interactions energy: -101.159
where: short stacking energy: -33.846
Base-Backbone interact. energy: -1.027
local terms energy: -60.400557
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -203.716010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.716010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.716010 (E_RNA)
where:
Base-Base interactions energy: -135.841
where: short stacking energy: -55.916
Base-Backbone interact. energy: 0.602
local terms energy: -68.476814
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -73.665481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665481 (E_RNA)
where:
Base-Base interactions energy: -30.573
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.085
local terms energy: -43.008037
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -2.100
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -82.446977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.446977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.446977 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -24.474
Base-Backbone interact. energy: 0.674
local terms energy: -50.334628
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -241.756854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.756854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.756854 (E_RNA)
where:
Base-Base interactions energy: -158.999
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.006
local terms energy: -82.752121
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -23.891
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: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -236.296819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.296819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.296819 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -66.700
Base-Backbone interact. energy: -0.534
local terms energy: -78.585927
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -235.654962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.654962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.654962 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -72.284
Base-Backbone interact. energy: 0.020
local terms energy: -78.474183
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -225.471739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.471739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.471739 (E_RNA)
where:
Base-Base interactions energy: -146.860
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.738
local terms energy: -77.873945
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -223.312014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.312014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.312014 (E_RNA)
where:
Base-Base interactions energy: -150.490
where: short stacking energy: -69.499
Base-Backbone interact. energy: -0.027
local terms energy: -72.794868
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -18.078
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: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -191.712843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.712843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.712843 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.030
local terms energy: -61.800111
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.889
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: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -182.374311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.374311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.374311 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.054
local terms energy: -72.251560
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -154.164800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.164800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.164800 (E_RNA)
where:
Base-Base interactions energy: -101.244
where: short stacking energy: -43.305
Base-Backbone interact. energy: 0.608
local terms energy: -53.528380
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -79.707765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.707765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.707765 (E_RNA)
where:
Base-Base interactions energy: -24.295
where: short stacking energy: -24.295
Base-Backbone interact. energy: -0.215
local terms energy: -55.197818
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -69.794896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.794896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.794896 (E_RNA)
where:
Base-Base interactions energy: -21.361
where: short stacking energy: -11.852
Base-Backbone interact. energy: 0.621
local terms energy: -49.055221
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -236.230778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.230778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.230778 (E_RNA)
where:
Base-Base interactions energy: -163.196
where: short stacking energy: -72.709
Base-Backbone interact. energy: -0.017
local terms energy: -73.017874
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -7.396
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: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -236.580894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.580894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.580894 (E_RNA)
where:
Base-Base interactions energy: -157.506
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.006
local terms energy: -79.068152
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -231.911113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.911113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.911113 (E_RNA)
where:
Base-Base interactions energy: -156.391
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.375
local terms energy: -75.144857
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -232.907393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.907393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.907393 (E_RNA)
where:
Base-Base interactions energy: -162.836
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.098
local terms energy: -69.973797
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -222.994517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.994517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.994517 (E_RNA)
where:
Base-Base interactions energy: -159.393
where: short stacking energy: -62.300
Base-Backbone interact. energy: 0.508
local terms energy: -64.109834
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -19.928
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -195.189398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.189398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.189398 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.095
local terms energy: -64.974672
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -15.271
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: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -207.607756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607756 (E_RNA)
where:
Base-Base interactions energy: -141.034
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.288
local terms energy: -66.286250
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -18.574
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: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -148.819319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.819319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.819319 (E_RNA)
where:
Base-Base interactions energy: -90.431
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.453
local terms energy: -57.934697
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.953
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: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -82.167931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.167931 (E_RNA)
where:
Base-Base interactions energy: -36.566
where: short stacking energy: -27.118
Base-Backbone interact. energy: -0.210
local terms energy: -45.391770
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -77.563390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.563390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.563390 (E_RNA)
where:
Base-Base interactions energy: -36.132
where: short stacking energy: -36.040
Base-Backbone interact. energy: 0.562
local terms energy: -41.993373
where:
bonds (distance) C4'-P energy: -5.890
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -238.208053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.208053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.208053 (E_RNA)
where:
Base-Base interactions energy: -167.996
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.005
local terms energy: -70.206296
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -20.143
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: 172
Temperature: 0.950000
Total energy: -233.004607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.004607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.004607 (E_RNA)
where:
Base-Base interactions energy: -153.094
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.001
local terms energy: -79.909742
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -228.971029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.971029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.971029 (E_RNA)
where:
Base-Base interactions energy: -150.810
where: short stacking energy: -72.180
Base-Backbone interact. energy: 0.603
local terms energy: -78.763479
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -223.978573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.978573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.978573 (E_RNA)
where:
Base-Base interactions energy: -151.117
where: short stacking energy: -69.203
Base-Backbone interact. energy: -0.106
local terms energy: -72.755194
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.678
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: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -228.822953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.822953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.822953 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.003
local terms energy: -75.711055
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -184.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.152915 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.081
local terms energy: -58.582661
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -210.112403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112403 (E_RNA)
where:
Base-Base interactions energy: -141.937
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.087
local terms energy: -68.088555
where:
bonds (distance) C4'-P energy: -6.655
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -153.185573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.185573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.185573 (E_RNA)
where:
Base-Base interactions energy: -95.489
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.154
local terms energy: -57.541864
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -10.893
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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -85.486832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.486832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.486832 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.377
local terms energy: -49.314952
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.917
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: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -77.791622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.791622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.791622 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.016
local terms energy: -44.981667
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -2.012
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: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -239.499235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.499235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.499235 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -76.308
Base-Backbone interact. energy: -0.056
local terms energy: -76.281017
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -229.561438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.561438 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.271
local terms energy: -76.281282
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -227.417152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.417152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417152 (E_RNA)
where:
Base-Base interactions energy: -154.719
where: short stacking energy: -74.825
Base-Backbone interact. energy: -0.073
local terms energy: -72.625742
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -22.857
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: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -221.885162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.885162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.885162 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.020
local terms energy: -76.162327
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -222.980025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.980025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.980025 (E_RNA)
where:
Base-Base interactions energy: -154.594
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.135
local terms energy: -68.250832
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -19.534
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: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -215.318679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.318679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.318679 (E_RNA)
where:
Base-Base interactions energy: -148.869
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.205
local terms energy: -66.244216
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.333
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: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -148.805346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.805346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.805346 (E_RNA)
where:
Base-Base interactions energy: -87.824
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.082
local terms energy: -60.899512
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -156.735493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.735493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.735493 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.329
local terms energy: -55.141773
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -8.128
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: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -76.173909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.173909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.173909 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.263
local terms energy: -41.472446
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -70.388017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.388017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.388017 (E_RNA)
where:
Base-Base interactions energy: -19.055
where: short stacking energy: -18.867
Base-Backbone interact. energy: -0.129
local terms energy: -51.204198
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -3.133
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: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -239.229023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.229023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.229023 (E_RNA)
where:
Base-Base interactions energy: -163.143
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.003
local terms energy: -76.083446
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -234.751275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.751275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.751275 (E_RNA)
where:
Base-Base interactions energy: -156.314
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.355
local terms energy: -78.082871
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -21.127
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: -229.515967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.515967 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.000
local terms energy: -78.634950
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -21.320
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -224.099383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.099383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.099383 (E_RNA)
where:
Base-Base interactions energy: -154.793
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.012
local terms energy: -69.294838
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -224.105464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.105464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.105464 (E_RNA)
where:
Base-Base interactions energy: -153.740
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.101
local terms energy: -70.264799
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.091
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: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -220.293981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.293981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.293981 (E_RNA)
where:
Base-Base interactions energy: -145.136
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.000
local terms energy: -75.157837
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -150.893954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.893954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.893954 (E_RNA)
where:
Base-Base interactions energy: -87.039
where: short stacking energy: -40.070
Base-Backbone interact. energy: -0.113
local terms energy: -63.742063
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -150.312056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.312056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.312056 (E_RNA)
where:
Base-Base interactions energy: -91.967
where: short stacking energy: -38.809
Base-Backbone interact. energy: -0.410
local terms energy: -57.935652
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -5.600
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: 174
Temperature: 1.300000
Total energy: -83.528087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.528087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.528087 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -27.211
Base-Backbone interact. energy: 0.277
local terms energy: -56.593971
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -7.808
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: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -78.401096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.401096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.401096 (E_RNA)
where:
Base-Base interactions energy: -24.374
where: short stacking energy: -23.083
Base-Backbone interact. energy: -0.593
local terms energy: -53.434844
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -238.564169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.564169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.564169 (E_RNA)
where:
Base-Base interactions energy: -161.110
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.034
local terms energy: -77.419966
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -233.418101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.418101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.418101 (E_RNA)
where:
Base-Base interactions energy: -161.881
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.087
local terms energy: -71.451017
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -231.523521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.523521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.523521 (E_RNA)
where:
Base-Base interactions energy: -158.881
where: short stacking energy: -67.926
Base-Backbone interact. energy: -0.344
local terms energy: -72.298402
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -232.073641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.073641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.073641 (E_RNA)
where:
Base-Base interactions energy: -159.129
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.006
local terms energy: -72.938047
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -19.518
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: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -227.978121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.978121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.978121 (E_RNA)
where:
Base-Base interactions energy: -158.560
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.001
local terms energy: -69.416864
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -216.146070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.146070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.146070 (E_RNA)
where:
Base-Base interactions energy: -149.076
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.142
local terms energy: -66.927894
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -153.805336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.805336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.805336 (E_RNA)
where:
Base-Base interactions energy: -93.483
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.020
local terms energy: -60.301957
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -85.142633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.142633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.142633 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.258
local terms energy: -41.633987
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -134.284148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.284148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.284148 (E_RNA)
where:
Base-Base interactions energy: -91.572
where: short stacking energy: -33.489
Base-Backbone interact. energy: -0.258
local terms energy: -42.453729
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.803625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.803625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.803625 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.106
local terms energy: -49.851555
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -243.135701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.135701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.135701 (E_RNA)
where:
Base-Base interactions energy: -163.277
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.496
local terms energy: -79.361856
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -21.067
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: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -229.548285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.548285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.548285 (E_RNA)
where:
Base-Base interactions energy: -153.392
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.144
local terms energy: -76.012770
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -17.691
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -234.830737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.830737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.830737 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -68.670
Base-Backbone interact. energy: 2.929
local terms energy: -81.719253
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -221.311535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.311535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.311535 (E_RNA)
where:
Base-Base interactions energy: -148.323
where: short stacking energy: -61.381
Base-Backbone interact. energy: 0.579
local terms energy: -73.567363
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -220.187082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.187082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.187082 (E_RNA)
where:
Base-Base interactions energy: -150.591
where: short stacking energy: -69.145
Base-Backbone interact. energy: -0.001
local terms energy: -69.595089
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -18.809
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: 176
Temperature: 1.150000
Total energy: -217.595337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.595337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.595337 (E_RNA)
where:
Base-Base interactions energy: -144.107
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.022
local terms energy: -73.466870
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -152.337426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.337426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.337426 (E_RNA)
where:
Base-Base interactions energy: -90.617
where: short stacking energy: -40.887
Base-Backbone interact. energy: 0.091
local terms energy: -61.812362
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -13.289
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: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -96.298110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.298110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.298110 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.197
local terms energy: -59.860469
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -6.673
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -106.925030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925030 (E_RNA)
where:
Base-Base interactions energy: -54.148
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.083
local terms energy: -52.694223
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -5.135
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: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -141.986041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.986041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.986041 (E_RNA)
where:
Base-Base interactions energy: -89.551
where: short stacking energy: -34.727
Base-Backbone interact. energy: 0.022
local terms energy: -52.457227
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -6.480
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -236.953324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.953324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.953324 (E_RNA)
where:
Base-Base interactions energy: -157.710
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.001
local terms energy: -79.242491
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -232.128585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.128585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.128585 (E_RNA)
where:
Base-Base interactions energy: -155.646
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.115
local terms energy: -76.367526
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -20.855
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -226.043268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.043268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.043268 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.046
local terms energy: -68.115779
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -230.704124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.704124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704124 (E_RNA)
where:
Base-Base interactions energy: -151.311
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.010
local terms energy: -79.383324
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -22.568
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: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -219.822561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.822561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.822561 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.100
local terms energy: -61.439762
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -16.040
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: 177
Temperature: 1.150000
Total energy: -178.420280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.420280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.420280 (E_RNA)
where:
Base-Base interactions energy: -118.341
where: short stacking energy: -50.068
Base-Backbone interact. energy: -0.191
local terms energy: -59.888153
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -12.471
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: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -193.700422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.700422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.700422 (E_RNA)
where:
Base-Base interactions energy: -128.642
where: short stacking energy: -55.082
Base-Backbone interact. energy: -0.090
local terms energy: -64.968737
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -113.427386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.427386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.427386 (E_RNA)
where:
Base-Base interactions energy: -64.559
where: short stacking energy: -28.747
Base-Backbone interact. energy: 0.574
local terms energy: -49.442903
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -5.146
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: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.148000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.148000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.148000 (E_RNA)
where:
Base-Base interactions energy: -43.392
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.047
local terms energy: -45.708158
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -133.565550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.565550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.565550 (E_RNA)
where:
Base-Base interactions energy: -76.450
where: short stacking energy: -39.385
Base-Backbone interact. energy: -0.060
local terms energy: -57.055800
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -9.225
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: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -243.875365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.875365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.875365 (E_RNA)
where:
Base-Base interactions energy: -162.803
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.014
local terms energy: -81.058862
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -23.305
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: 178
Temperature: 0.950000
Total energy: -234.741598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.741598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.741598 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.002
local terms energy: -76.409959
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -226.313480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.313480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.313480 (E_RNA)
where:
Base-Base interactions energy: -149.721
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.100
local terms energy: -76.492990
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -219.453960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.453960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.453960 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.067
local terms energy: -77.567647
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -222.157826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.157826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157826 (E_RNA)
where:
Base-Base interactions energy: -152.328
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.060
local terms energy: -69.770226
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -21.112
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: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -176.580248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.580248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.580248 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -54.040
Base-Backbone interact. energy: -0.024
local terms energy: -67.266464
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -18.022
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: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -212.615379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.615379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.615379 (E_RNA)
where:
Base-Base interactions energy: -147.923
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.634
local terms energy: -64.058548
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -145.342300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.342300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.342300 (E_RNA)
where:
Base-Base interactions energy: -87.429
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.127
local terms energy: -57.786116
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -97.288884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.288884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.288884 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.274
local terms energy: -58.286814
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -74.987612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.987612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.987612 (E_RNA)
where:
Base-Base interactions energy: -28.606
where: short stacking energy: -28.606
Base-Backbone interact. energy: 0.419
local terms energy: -46.800427
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -241.479351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.479351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.479351 (E_RNA)
where:
Base-Base interactions energy: -159.092
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.281
local terms energy: -82.106025
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -229.271152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.271152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.271152 (E_RNA)
where:
Base-Base interactions energy: -158.123
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.038
local terms energy: -71.109826
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.370
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: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -221.481097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481097 (E_RNA)
where:
Base-Base interactions energy: -155.954
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.051
local terms energy: -65.475685
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -226.064584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.064584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.064584 (E_RNA)
where:
Base-Base interactions energy: -151.526
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.001
local terms energy: -74.537717
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -21.857
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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -207.782076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.782076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.782076 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.008
local terms energy: -65.005960
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -197.456451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.456451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.456451 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.179
local terms energy: -68.399507
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -146.251081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.251081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.251081 (E_RNA)
where:
Base-Base interactions energy: -92.109
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.411
local terms energy: -53.730416
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -165.753218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.753218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.753218 (E_RNA)
where:
Base-Base interactions energy: -103.625
where: short stacking energy: -48.092
Base-Backbone interact. energy: 1.885
local terms energy: -64.012549
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.808
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: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -106.456508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.456508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.456508 (E_RNA)
where:
Base-Base interactions energy: -54.378
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.005
local terms energy: -52.073288
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -2.155
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: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -74.689295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.689295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.689295 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.206
local terms energy: -42.293924
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -7.773
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -0.228
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: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -233.290095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.290095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.290095 (E_RNA)
where:
Base-Base interactions energy: -156.764
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.445
local terms energy: -76.080897
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -239.371950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.371950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.371950 (E_RNA)
where:
Base-Base interactions energy: -164.531
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.002
local terms energy: -74.838842
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -20.355
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -233.135767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.135767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.135767 (E_RNA)
where:
Base-Base interactions energy: -154.712
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.054
local terms energy: -78.370436
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -18.102
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: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -224.855829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.855829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.855829 (E_RNA)
where:
Base-Base interactions energy: -154.459
where: short stacking energy: -59.479
Base-Backbone interact. energy: -1.122
local terms energy: -69.275523
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -221.197400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197400 (E_RNA)
where:
Base-Base interactions energy: -147.022
where: short stacking energy: -63.003
Base-Backbone interact. energy: 0.049
local terms energy: -74.224677
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -16.806
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -205.245130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.245130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.245130 (E_RNA)
where:
Base-Base interactions energy: -131.376
where: short stacking energy: -60.281
Base-Backbone interact. energy: 0.472
local terms energy: -74.341497
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -100.091257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.091257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.091257 (E_RNA)
where:
Base-Base interactions energy: -56.301
where: short stacking energy: -33.876
Base-Backbone interact. energy: 0.318
local terms energy: -44.107902
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -155.569428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.569428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.569428 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -45.723
Base-Backbone interact. energy: -0.135
local terms energy: -52.607914
where:
bonds (distance) C4'-P energy: -5.920
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -11.146
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: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -87.224551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224551 (E_RNA)
where:
Base-Base interactions energy: -40.812
where: short stacking energy: -37.002
Base-Backbone interact. energy: -1.118
local terms energy: -45.294240
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -89.294623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294623 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -18.738
Base-Backbone interact. energy: 0.187
local terms energy: -48.262536
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: 2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -231.409047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.409047 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.152
local terms energy: -77.662236
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -21.021
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: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -236.358741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.358741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.358741 (E_RNA)
where:
Base-Base interactions energy: -160.099
where: short stacking energy: -68.445
Base-Backbone interact. energy: -0.001
local terms energy: -76.259100
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -21.896
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: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -231.964908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.964908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.964908 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.026
local terms energy: -78.605645
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -223.764197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.764197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.764197 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -65.835
Base-Backbone interact. energy: -0.046
local terms energy: -73.361876
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -223.639822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.639822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.639822 (E_RNA)
where:
Base-Base interactions energy: -147.099
where: short stacking energy: -63.490
Base-Backbone interact. energy: -0.130
local terms energy: -76.410952
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -221.660053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.660053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.660053 (E_RNA)
where:
Base-Base interactions energy: -146.073
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.007
local terms energy: -75.580435
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -21.585
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: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -85.025016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025016 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.419
local terms energy: -51.231571
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -145.469582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.469582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.469582 (E_RNA)
where:
Base-Base interactions energy: -89.289
where: short stacking energy: -39.248
Base-Backbone interact. energy: 0.247
local terms energy: -56.427409
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -81.366552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.366552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.366552 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -33.272
Base-Backbone interact. energy: -0.109
local terms energy: -46.500740
where:
bonds (distance) C4'-P energy: -6.669
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -6.307
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: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -83.301981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.301981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.301981 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.251
local terms energy: -54.969764
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -233.904506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.904506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.904506 (E_RNA)
where:
Base-Base interactions energy: -157.713
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.193
local terms energy: -75.997956
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -229.721741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.721741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.721741 (E_RNA)
where:
Base-Base interactions energy: -158.843
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.363
local terms energy: -70.515455
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -228.364754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.364754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.364754 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.003
local terms energy: -73.430280
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -19.916
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -219.278971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278971 (E_RNA)
where:
Base-Base interactions energy: -142.155
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.001
local terms energy: -77.122131
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -19.705
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: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -224.424851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424851 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.004
local terms energy: -75.464646
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -221.787979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.787979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.787979 (E_RNA)
where:
Base-Base interactions energy: -145.822
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.058
local terms energy: -75.908128
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -22.223
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: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -150.096798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.096798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.096798 (E_RNA)
where:
Base-Base interactions energy: -94.196
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.093
local terms energy: -55.807564
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -79.793236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.793236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.793236 (E_RNA)
where:
Base-Base interactions energy: -24.681
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.037
local terms energy: -55.075768
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -6.120
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: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -85.462545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.462545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.462545 (E_RNA)
where:
Base-Base interactions energy: -25.519
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.094
local terms energy: -59.848887
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -6.604
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: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -78.275299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275299 (E_RNA)
where:
Base-Base interactions energy: -34.163
where: short stacking energy: -28.309
Base-Backbone interact. energy: 0.285
local terms energy: -44.398004
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -239.770270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.770270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.770270 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.001
local terms energy: -80.874640
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -231.514279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514279 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.427
local terms energy: -78.161631
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.771
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: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -226.621929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621929 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -52.044
Base-Backbone interact. energy: 0.084
local terms energy: -75.077338
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -223.888925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.888925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.888925 (E_RNA)
where:
Base-Base interactions energy: -145.556
where: short stacking energy: -65.480
Base-Backbone interact. energy: 0.190
local terms energy: -78.523634
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -214.965696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965696 (E_RNA)
where:
Base-Base interactions energy: -141.072
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.007
local terms energy: -73.886283
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -19.897
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: 183
Temperature: 1.150000
Total energy: -222.493553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.493553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.493553 (E_RNA)
where:
Base-Base interactions energy: -157.464
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.202
local terms energy: -64.826891
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -15.303
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: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -127.291847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.291847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.291847 (E_RNA)
where:
Base-Base interactions energy: -69.357
where: short stacking energy: -37.766
Base-Backbone interact. energy: -0.299
local terms energy: -57.635148
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -11.168
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: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -93.328741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328741 (E_RNA)
where:
Base-Base interactions energy: -40.405
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.060
local terms energy: -52.863985
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -80.251307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251307 (E_RNA)
where:
Base-Base interactions energy: -27.172
where: short stacking energy: -24.342
Base-Backbone interact. energy: 1.250
local terms energy: -54.329804
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -72.697944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.697944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.697944 (E_RNA)
where:
Base-Base interactions energy: -23.362
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.029
local terms energy: -49.306748
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -4.060
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: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -240.397371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.397371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.397371 (E_RNA)
where:
Base-Base interactions energy: -164.133
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.001
local terms energy: -76.262528
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -22.277
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: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -228.553226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.553226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.553226 (E_RNA)
where:
Base-Base interactions energy: -155.645
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.383
local terms energy: -72.525057
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -223.472778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.472778 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.004
local terms energy: -75.293078
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -18.361
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: 184
Temperature: 1.050000
Total energy: -221.320834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.320834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320834 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.492
local terms energy: -64.348758
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -229.231425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.231425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.231425 (E_RNA)
where:
Base-Base interactions energy: -156.776
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.198
local terms energy: -72.258086
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -228.271323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.271323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.271323 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -62.313
Base-Backbone interact. energy: -0.001
local terms energy: -71.818989
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -131.306020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.306020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.306020 (E_RNA)
where:
Base-Base interactions energy: -75.020
where: short stacking energy: -34.301
Base-Backbone interact. energy: 0.544
local terms energy: -56.830294
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.503
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: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -95.849516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.849516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.849516 (E_RNA)
where:
Base-Base interactions energy: -45.145
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.240
local terms energy: -50.464440
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -81.011556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011556 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.265
local terms energy: -48.160973
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -2.660
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: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.019324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.019324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.019324 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -29.901
Base-Backbone interact. energy: 3.754
local terms energy: -47.873292
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -240.115565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.115565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.115565 (E_RNA)
where:
Base-Base interactions energy: -159.470
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.041
local terms energy: -80.604126
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -232.729963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.729963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.729963 (E_RNA)
where:
Base-Base interactions energy: -162.389
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.082
local terms energy: -70.259482
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.994
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: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -228.226660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.226660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.226660 (E_RNA)
where:
Base-Base interactions energy: -152.539
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.074
local terms energy: -75.613714
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -19.247
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: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -222.698447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698447 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -68.168
Base-Backbone interact. energy: 0.364
local terms energy: -74.200348
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -224.283507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.283507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.283507 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.008
local terms energy: -77.062371
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -220.550660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.550660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.550660 (E_RNA)
where:
Base-Base interactions energy: -146.709
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.162
local terms energy: -73.679684
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -128.429674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.429674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.429674 (E_RNA)
where:
Base-Base interactions energy: -84.180
where: short stacking energy: -34.604
Base-Backbone interact. energy: 2.772
local terms energy: -47.021455
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -4.843
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -6.314
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: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -133.515734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.515734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.515734 (E_RNA)
where:
Base-Base interactions energy: -91.290
where: short stacking energy: -41.664
Base-Backbone interact. energy: -0.083
local terms energy: -42.142819
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -5.125
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -83.445887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445887 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.040
local terms energy: -55.375838
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -74.079718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.079718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.079718 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -25.558
Base-Backbone interact. energy: 0.841
local terms energy: -49.362781
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.392
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: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -239.071557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.071557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.071557 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -69.913
Base-Backbone interact. energy: -0.835
local terms energy: -77.468621
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -234.160812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.160812 (E_RNA)
where:
Base-Base interactions energy: -157.428
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.004
local terms energy: -76.728890
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -231.880853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880853 (E_RNA)
where:
Base-Base interactions energy: -156.770
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.036
local terms energy: -75.075443
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -235.799155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.799155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.799155 (E_RNA)
where:
Base-Base interactions energy: -163.197
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.001
local terms energy: -72.601666
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -222.771833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.771833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.771833 (E_RNA)
where:
Base-Base interactions energy: -145.617
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.040
local terms energy: -77.115509
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -214.341306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.341306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.341306 (E_RNA)
where:
Base-Base interactions energy: -148.477
where: short stacking energy: -61.718
Base-Backbone interact. energy: 1.524
local terms energy: -67.388065
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -135.642181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.642181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.642181 (E_RNA)
where:
Base-Base interactions energy: -82.300
where: short stacking energy: -42.345
Base-Backbone interact. energy: -1.036
local terms energy: -52.306168
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -138.206130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.206130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.206130 (E_RNA)
where:
Base-Base interactions energy: -83.401
where: short stacking energy: -40.340
Base-Backbone interact. energy: 0.345
local terms energy: -55.149766
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -78.681053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.681053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.681053 (E_RNA)
where:
Base-Base interactions energy: -29.963
where: short stacking energy: -25.470
Base-Backbone interact. energy: -0.837
local terms energy: -47.881053
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.198
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -75.019713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.019713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.019713 (E_RNA)
where:
Base-Base interactions energy: -28.718
where: short stacking energy: -23.343
Base-Backbone interact. energy: -0.115
local terms energy: -46.186598
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -239.454739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454739 (E_RNA)
where:
Base-Base interactions energy: -157.230
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.089
local terms energy: -82.135889
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -234.330866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.330866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.330866 (E_RNA)
where:
Base-Base interactions energy: -162.427
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.540
local terms energy: -71.364355
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -18.111
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: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -225.321597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.321597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.321597 (E_RNA)
where:
Base-Base interactions energy: -158.705
where: short stacking energy: -69.592
Base-Backbone interact. energy: -0.001
local terms energy: -66.615968
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -20.707
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -226.299378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.299378 (E_RNA)
where:
Base-Base interactions energy: -157.194
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.247
local terms energy: -68.858311
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -223.474875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.474875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.474875 (E_RNA)
where:
Base-Base interactions energy: -153.237
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.030
local terms energy: -70.207632
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -225.140460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.140460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.140460 (E_RNA)
where:
Base-Base interactions energy: -152.856
where: short stacking energy: -59.181
Base-Backbone interact. energy: 0.061
local terms energy: -72.345591
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.895
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: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -143.272338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.272338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.272338 (E_RNA)
where:
Base-Base interactions energy: -82.467
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.003
local terms energy: -60.802119
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -14.842
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: 187
Temperature: 1.250000
Total energy: -167.088671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.088671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.088671 (E_RNA)
where:
Base-Base interactions energy: -99.908
where: short stacking energy: -42.536
Base-Backbone interact. energy: -0.025
local terms energy: -67.155669
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -86.639045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.639045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.639045 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.195
local terms energy: -51.229640
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -78.456017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456017 (E_RNA)
where:
Base-Base interactions energy: -31.736
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.014
local terms energy: -46.705917
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -8.093
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -228.512249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.512249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.512249 (E_RNA)
where:
Base-Base interactions energy: -155.733
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.116
local terms energy: -72.663490
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -13.002
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: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -231.138380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.138380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.138380 (E_RNA)
where:
Base-Base interactions energy: -149.784
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.011
local terms energy: -81.343897
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -230.607652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.607652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.607652 (E_RNA)
where:
Base-Base interactions energy: -148.865
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.216
local terms energy: -81.527065
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -237.302891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.302891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.302891 (E_RNA)
where:
Base-Base interactions energy: -158.818
where: short stacking energy: -68.413
Base-Backbone interact. energy: 0.551
local terms energy: -79.035570
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -20.617
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: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -232.392517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392517 (E_RNA)
where:
Base-Base interactions energy: -154.059
where: short stacking energy: -67.130
Base-Backbone interact. energy: -0.033
local terms energy: -78.301353
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -218.506455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506455 (E_RNA)
where:
Base-Base interactions energy: -148.722
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.264
local terms energy: -69.520006
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -14.469
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -110.092186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.092186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.092186 (E_RNA)
where:
Base-Base interactions energy: -64.599
where: short stacking energy: -28.121
Base-Backbone interact. energy: 0.394
local terms energy: -45.886766
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -121.753294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.753294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.753294 (E_RNA)
where:
Base-Base interactions energy: -73.619
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.387
local terms energy: -47.747162
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -7.197
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -73.578982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.578982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.578982 (E_RNA)
where:
Base-Base interactions energy: -24.467
where: short stacking energy: -17.909
Base-Backbone interact. energy: -0.333
local terms energy: -48.779435
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.017
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -84.134165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134165 (E_RNA)
where:
Base-Base interactions energy: -39.821
where: short stacking energy: -14.379
Base-Backbone interact. energy: -0.760
local terms energy: -43.552755
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -226.668214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.668214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.668214 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.662
local terms energy: -72.978531
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -234.435693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.435693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.435693 (E_RNA)
where:
Base-Base interactions energy: -157.100
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.203
local terms energy: -77.133350
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -228.321909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.321909 (E_RNA)
where:
Base-Base interactions energy: -154.473
where: short stacking energy: -71.623
Base-Backbone interact. energy: -0.035
local terms energy: -73.813688
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -234.479848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.479848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.479848 (E_RNA)
where:
Base-Base interactions energy: -156.898
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.079
local terms energy: -77.503216
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.928
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: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -217.411907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.411907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.411907 (E_RNA)
where:
Base-Base interactions energy: -135.957
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.224
local terms energy: -81.230960
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -216.064535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.064535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.064535 (E_RNA)
where:
Base-Base interactions energy: -144.941
where: short stacking energy: -61.767
Base-Backbone interact. energy: 0.360
local terms energy: -71.482707
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -94.529728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529728 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -21.422
Base-Backbone interact. energy: -0.019
local terms energy: -53.415979
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -135.695213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.695213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.695213 (E_RNA)
where:
Base-Base interactions energy: -80.034
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.070
local terms energy: -55.590363
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -75.978638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.978638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.978638 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.174
local terms energy: -47.840493
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -81.500589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500589 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.128
local terms energy: -52.865439
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -238.182007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.182007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.182007 (E_RNA)
where:
Base-Base interactions energy: -154.754
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.005
local terms energy: -83.423387
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -228.732198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732198 (E_RNA)
where:
Base-Base interactions energy: -158.160
where: short stacking energy: -65.663
Base-Backbone interact. energy: 0.940
local terms energy: -71.512591
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -16.479
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: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -235.765358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.765358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.765358 (E_RNA)
where:
Base-Base interactions energy: -160.282
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.040
local terms energy: -75.443617
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -226.008055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008055 (E_RNA)
where:
Base-Base interactions energy: -152.325
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.005
local terms energy: -73.678052
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -21.535
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -226.592588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.592588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.592588 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.008
local terms energy: -72.516496
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -21.148
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: 190
Temperature: 1.150000
Total energy: -225.021589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.021589 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.043
local terms energy: -75.074550
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -138.116857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.116857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.116857 (E_RNA)
where:
Base-Base interactions energy: -76.696
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.091
local terms energy: -61.330009
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -6.786
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: 190
Temperature: 1.250000
Total energy: -83.946506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.946506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.946506 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.128
local terms energy: -50.639798
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.040923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040923 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.249
local terms energy: -48.609135
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -76.853013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.853013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.853013 (E_RNA)
where:
Base-Base interactions energy: -29.164
where: short stacking energy: -24.408
Base-Backbone interact. energy: 0.263
local terms energy: -47.951993
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -6.605
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: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -235.265556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.265556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.265556 (E_RNA)
where:
Base-Base interactions energy: -160.726
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.327
local terms energy: -74.212409
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -17.042
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: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -234.594041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.594041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.594041 (E_RNA)
where:
Base-Base interactions energy: -154.311
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.007
local terms energy: -80.276026
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -230.261064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.261064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.261064 (E_RNA)
where:
Base-Base interactions energy: -161.207
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.205
local terms energy: -68.849427
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -230.163912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.163912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.163912 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.704
local terms energy: -77.102242
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -17.891
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: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -215.059320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.059320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.059320 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -63.530
Base-Backbone interact. energy: 0.099
local terms energy: -71.192987
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -225.123256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.123256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.123256 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.010
local terms energy: -78.331042
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -138.101358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.101358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.101358 (E_RNA)
where:
Base-Base interactions energy: -96.036
where: short stacking energy: -44.205
Base-Backbone interact. energy: 1.468
local terms energy: -43.533272
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -94.441571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.441571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.441571 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -36.929
Base-Backbone interact. energy: -0.621
local terms energy: -56.778377
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -82.585566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585566 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -24.730
Base-Backbone interact. energy: 0.024
local terms energy: -52.691862
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -81.121014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.121014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.121014 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -23.219
Base-Backbone interact. energy: -0.166
local terms energy: -49.876965
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -239.841288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.841288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.841288 (E_RNA)
where:
Base-Base interactions energy: -159.365
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.041
local terms energy: -80.435028
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -234.597788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.597788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.597788 (E_RNA)
where:
Base-Base interactions energy: -152.759
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.002
local terms energy: -81.837153
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -235.516017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.516017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.516017 (E_RNA)
where:
Base-Base interactions energy: -161.163
where: short stacking energy: -68.550
Base-Backbone interact. energy: 0.768
local terms energy: -75.121107
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -20.164
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: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -221.595113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.595113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.595113 (E_RNA)
where:
Base-Base interactions energy: -152.811
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.048
local terms energy: -68.736212
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -220.651093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.651093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.651093 (E_RNA)
where:
Base-Base interactions energy: -152.092
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.095
local terms energy: -68.464109
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -215.622446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.622446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.622446 (E_RNA)
where:
Base-Base interactions energy: -141.898
where: short stacking energy: -64.710
Base-Backbone interact. energy: -0.227
local terms energy: -73.498030
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -128.744942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.744942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.744942 (E_RNA)
where:
Base-Base interactions energy: -74.559
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.787
local terms energy: -53.398780
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -8.184
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -92.273253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273253 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -23.119
Base-Backbone interact. energy: 0.346
local terms energy: -48.644722
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -84.980382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.980382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.980382 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -22.064
Base-Backbone interact. energy: -0.298
local terms energy: -52.319927
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -0.721
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: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -76.143903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143903 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.213
local terms energy: -46.293975
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -238.355912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.355912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.355912 (E_RNA)
where:
Base-Base interactions energy: -157.516
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.005
local terms energy: -80.834533
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -22.633
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: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -228.111866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111866 (E_RNA)
where:
Base-Base interactions energy: -152.638
where: short stacking energy: -69.802
Base-Backbone interact. energy: 0.985
local terms energy: -76.458480
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.580
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: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -224.275872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.275872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.275872 (E_RNA)
where:
Base-Base interactions energy: -154.941
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.103
local terms energy: -69.232067
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -6.079
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: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -235.872604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.872604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.872604 (E_RNA)
where:
Base-Base interactions energy: -155.411
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.000
local terms energy: -80.460966
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -219.364975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364975 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -66.475
Base-Backbone interact. energy: -0.577
local terms energy: -67.863742
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -211.960488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.960488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.960488 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -60.750
Base-Backbone interact. energy: 0.173
local terms energy: -69.735484
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -18.529
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: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -129.119231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.119231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.119231 (E_RNA)
where:
Base-Base interactions energy: -72.088
where: short stacking energy: -43.053
Base-Backbone interact. energy: -0.281
local terms energy: -56.750002
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -87.755334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.755334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.755334 (E_RNA)
where:
Base-Base interactions energy: -47.010
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.072
local terms energy: -40.673871
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -5.700
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -76.982083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.982083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.982083 (E_RNA)
where:
Base-Base interactions energy: -27.152
where: short stacking energy: -21.466
Base-Backbone interact. energy: -0.291
local terms energy: -49.539032
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.467
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: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -76.382646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.382646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.382646 (E_RNA)
where:
Base-Base interactions energy: -35.929
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.256
local terms energy: -40.198013
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -1.250
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: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -237.328535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.328535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328535 (E_RNA)
where:
Base-Base interactions energy: -156.197
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.355
local terms energy: -80.776940
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.396
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -229.809514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.809514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.809514 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.003
local terms energy: -71.995673
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -21.156
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: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -232.857565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.857565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.857565 (E_RNA)
where:
Base-Base interactions energy: -158.104
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.043
local terms energy: -74.710196
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -232.523664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.523664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523664 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -67.503
Base-Backbone interact. energy: -0.001
local terms energy: -79.399613
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -21.638
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: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -228.682587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.682587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.682587 (E_RNA)
where:
Base-Base interactions energy: -153.873
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.037
local terms energy: -74.772380
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -219.506437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.506437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.506437 (E_RNA)
where:
Base-Base interactions energy: -157.479
where: short stacking energy: -65.397
Base-Backbone interact. energy: 0.489
local terms energy: -62.516110
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -92.202714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.202714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.202714 (E_RNA)
where:
Base-Base interactions energy: -44.206
where: short stacking energy: -41.507
Base-Backbone interact. energy: -0.311
local terms energy: -47.685818
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -119.253329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.253329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.253329 (E_RNA)
where:
Base-Base interactions energy: -72.762
where: short stacking energy: -25.604
Base-Backbone interact. energy: 0.043
local terms energy: -46.534100
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -80.775462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.775462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.775462 (E_RNA)
where:
Base-Base interactions energy: -26.188
where: short stacking energy: -26.188
Base-Backbone interact. energy: -0.060
local terms energy: -54.527365
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -84.855941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.855941 (E_RNA)
where:
Base-Base interactions energy: -45.052
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.080
local terms energy: -39.724091
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: 2.061
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: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -233.258966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.258966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.258966 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.101
local terms energy: -69.243208
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -228.347428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.347428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.347428 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.034
local terms energy: -79.362937
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -21.093
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: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -228.497989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.497989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.497989 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.046
local terms energy: -78.550099
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -223.928504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.928504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.928504 (E_RNA)
where:
Base-Base interactions energy: -152.447
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.013
local terms energy: -71.468395
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -18.986
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: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -221.966503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.966503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.966503 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.031
local terms energy: -80.066409
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -216.186319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.186319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.186319 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -58.701
Base-Backbone interact. energy: 0.033
local terms energy: -72.371813
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.380
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: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -85.661649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.661649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.661649 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.197
local terms energy: -52.106582
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -98.702998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702998 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -30.680
Base-Backbone interact. energy: -0.298
local terms energy: -43.345453
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: 1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -81.829200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.829200 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -30.606
Base-Backbone interact. energy: 1.293
local terms energy: -52.515459
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -70.663606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.663606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.663606 (E_RNA)
where:
Base-Base interactions energy: -22.242
where: short stacking energy: -17.837
Base-Backbone interact. energy: -0.141
local terms energy: -48.281142
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -1.778
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: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -237.701235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.701235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.701235 (E_RNA)
where:
Base-Base interactions energy: -163.676
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.001
local terms energy: -74.023862
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -21.922
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: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -230.831299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.831299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.831299 (E_RNA)
where:
Base-Base interactions energy: -159.953
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.016
local terms energy: -70.861863
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -18.535
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: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -237.397190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.397190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.397190 (E_RNA)
where:
Base-Base interactions energy: -156.004
where: short stacking energy: -71.209
Base-Backbone interact. energy: 0.209
local terms energy: -81.602079
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -24.546
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: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -223.792700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.792700 (E_RNA)
where:
Base-Base interactions energy: -144.083
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.046
local terms energy: -79.663397
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -22.500
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -222.439628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.439628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.439628 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.001
local terms energy: -75.140515
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -205.630075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.630075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.630075 (E_RNA)
where:
Base-Base interactions energy: -140.281
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.037
local terms energy: -65.311894
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -90.843476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.843476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.843476 (E_RNA)
where:
Base-Base interactions energy: -36.898
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.239
local terms energy: -53.706063
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -1.842
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -87.455305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.455305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.455305 (E_RNA)
where:
Base-Base interactions energy: -41.503
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.002
local terms energy: -45.950988
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -81.940359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940359 (E_RNA)
where:
Base-Base interactions energy: -22.574
where: short stacking energy: -22.574
Base-Backbone interact. energy: -0.072
local terms energy: -59.293743
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -5.127
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: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -72.346558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.346558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.346558 (E_RNA)
where:
Base-Base interactions energy: -18.912
where: short stacking energy: -18.912
Base-Backbone interact. energy: -0.274
local terms energy: -53.160625
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.633
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: 197
Temperature: 0.900000
Total energy: -237.080442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.080442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.080442 (E_RNA)
where:
Base-Base interactions energy: -159.168
where: short stacking energy: -72.162
Base-Backbone interact. energy: -0.056
local terms energy: -77.855918
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -239.901229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.901229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.901229 (E_RNA)
where:
Base-Base interactions energy: -159.198
where: short stacking energy: -71.432
Base-Backbone interact. energy: -0.022
local terms energy: -80.680681
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -21.377
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: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -230.825580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825580 (E_RNA)
where:
Base-Base interactions energy: -153.926
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.013
local terms energy: -76.886183
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -223.038854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.038854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.038854 (E_RNA)
where:
Base-Base interactions energy: -151.691
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.049
local terms energy: -71.299415
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.671
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: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -221.917451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917451 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.004
local terms energy: -78.469079
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.879
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: 197
Temperature: 1.150000
Total energy: -221.958716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.958716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.958716 (E_RNA)
where:
Base-Base interactions energy: -153.224
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.123
local terms energy: -68.611996
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.512
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: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -110.117250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.117250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.117250 (E_RNA)
where:
Base-Base interactions energy: -53.886
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.161
local terms energy: -56.069979
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -90.157938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.157938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.157938 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.240
local terms energy: -48.982110
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -79.083794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083794 (E_RNA)
where:
Base-Base interactions energy: -28.568
where: short stacking energy: -28.768
Base-Backbone interact. energy: 0.466
local terms energy: -50.981765
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -84.987205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987205 (E_RNA)
where:
Base-Base interactions energy: -41.386
where: short stacking energy: -35.476
Base-Backbone interact. energy: 0.219
local terms energy: -43.820558
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -1.542
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -234.082569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.082569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.082569 (E_RNA)
where:
Base-Base interactions energy: -153.459
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.004
local terms energy: -80.618739
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -22.754
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -232.861185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.861185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.861185 (E_RNA)
where:
Base-Base interactions energy: -155.147
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.081
local terms energy: -77.632639
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -19.640
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: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -233.897056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.897056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.897056 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -71.424
Base-Backbone interact. energy: -0.002
local terms energy: -74.996065
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.993
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: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -217.981250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.981250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981250 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.080
local terms energy: -76.686761
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -19.890
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: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -228.831823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.831823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.831823 (E_RNA)
where:
Base-Base interactions energy: -146.405
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.001
local terms energy: -82.425158
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -21.538
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: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -218.449942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.449942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.449942 (E_RNA)
where:
Base-Base interactions energy: -147.097
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.019
local terms energy: -71.334019
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -106.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.789885 (E_RNA)
where:
Base-Base interactions energy: -56.140
where: short stacking energy: -21.953
Base-Backbone interact. energy: 0.273
local terms energy: -50.922976
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -4.706
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -93.892884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.892884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.892884 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.108
local terms energy: -59.044499
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -85.388594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.388594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.388594 (E_RNA)
where:
Base-Base interactions energy: -25.571
where: short stacking energy: -25.571
Base-Backbone interact. energy: -0.271
local terms energy: -59.547016
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.439887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439887 (E_RNA)
where:
Base-Base interactions energy: -27.958
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.115
local terms energy: -53.366779
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -4.218
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: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -247.207251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.207251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.207251 (E_RNA)
where:
Base-Base interactions energy: -164.611
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.135
local terms energy: -82.461718
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -230.029310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.029310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.029310 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.011
local terms energy: -74.851518
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.574
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: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -235.179064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.179064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.179064 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.053
local terms energy: -74.118574
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -16.318
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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -225.061383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.061383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.061383 (E_RNA)
where:
Base-Base interactions energy: -151.230
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.001
local terms energy: -73.829724
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -216.762650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.762650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762650 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.001
local terms energy: -64.526086
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -216.720513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.720513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.720513 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.010
local terms energy: -69.343047
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -93.871308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871308 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.051
local terms energy: -56.112351
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -81.577836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.577836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.577836 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -25.388
Base-Backbone interact. energy: -0.527
local terms energy: -43.367262
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -7.350
flat angles P-C4'-P energy: -10.852
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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -104.002146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.002146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.002146 (E_RNA)
where:
Base-Base interactions energy: -43.618
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.094
local terms energy: -60.290442
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -75.459354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.459354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.459354 (E_RNA)
where:
Base-Base interactions energy: -19.412
where: short stacking energy: -19.269
Base-Backbone interact. energy: -0.412
local terms energy: -55.635433
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -5.695
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: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -241.115420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.115420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.115420 (E_RNA)
where:
Base-Base interactions energy: -161.601
where: short stacking energy: -74.991
Base-Backbone interact. energy: -0.011
local terms energy: -79.503358
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -237.336898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.336898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.336898 (E_RNA)
where:
Base-Base interactions energy: -158.215
where: short stacking energy: -66.596
Base-Backbone interact. energy: -0.142
local terms energy: -78.979736
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -13.694
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -231.989666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.989666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.989666 (E_RNA)
where:
Base-Base interactions energy: -161.197
where: short stacking energy: -61.261
Base-Backbone interact. energy: -0.768
local terms energy: -70.025482
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -224.982112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.982112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.982112 (E_RNA)
where:
Base-Base interactions energy: -148.866
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.124
local terms energy: -75.992513
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -222.682142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.682142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.682142 (E_RNA)
where:
Base-Base interactions energy: -145.823
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.015
local terms energy: -76.843912
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -219.528401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.528401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.528401 (E_RNA)
where:
Base-Base interactions energy: -149.771
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.426
local terms energy: -69.332117
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -79.595800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.595800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.595800 (E_RNA)
where:
Base-Base interactions energy: -32.421
where: short stacking energy: -24.768
Base-Backbone interact. energy: -0.372
local terms energy: -46.802854
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -79.575366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.575366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.575366 (E_RNA)
where:
Base-Base interactions energy: -29.935
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.215
local terms energy: -49.424805
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: 1.664
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: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -71.670853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.670853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.670853 (E_RNA)
where:
Base-Base interactions energy: -24.089
where: short stacking energy: -15.358
Base-Backbone interact. energy: -0.063
local terms energy: -47.519214
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -69.542330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.542330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.542330 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.063
local terms energy: -38.258372
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -7.388
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: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -243.295791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.295791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.295791 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -79.127
Base-Backbone interact. energy: -0.011
local terms energy: -77.010437
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -236.495726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.495726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.495726 (E_RNA)
where:
Base-Base interactions energy: -156.681
where: short stacking energy: -67.571
Base-Backbone interact. energy: -0.345
local terms energy: -79.469529
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -235.707139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.707139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707139 (E_RNA)
where:
Base-Base interactions energy: -157.954
where: short stacking energy: -65.944
Base-Backbone interact. energy: 0.496
local terms energy: -78.249125
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -20.926
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -224.436909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.436909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.436909 (E_RNA)
where:
Base-Base interactions energy: -145.938
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.039
local terms energy: -78.459104
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -228.375717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.375717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.375717 (E_RNA)
where:
Base-Base interactions energy: -156.216
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.011
local terms energy: -72.148609
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -18.202
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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -208.298162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.298162 (E_RNA)
where:
Base-Base interactions energy: -144.924
where: short stacking energy: -59.877
Base-Backbone interact. energy: -0.032
local terms energy: -63.342664
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.346
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: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -94.657602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.657602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.657602 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -36.520
Base-Backbone interact. energy: -0.751
local terms energy: -46.288621
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -1.282
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -79.133110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133110 (E_RNA)
where:
Base-Base interactions energy: -28.134
where: short stacking energy: -28.134
Base-Backbone interact. energy: -0.113
local terms energy: -50.886388
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -2.763
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: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -85.619267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.619267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.619267 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -21.159
Base-Backbone interact. energy: -0.050
local terms energy: -58.363662
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -0.139
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: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -77.139036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.139036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.139036 (E_RNA)
where:
Base-Base interactions energy: -25.800
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.001
local terms energy: -51.337507
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -238.736249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.736249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.736249 (E_RNA)
where:
Base-Base interactions energy: -172.667
where: short stacking energy: -72.835
Base-Backbone interact. energy: -0.082
local terms energy: -65.986879
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -237.166819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.166819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.166819 (E_RNA)
where:
Base-Base interactions energy: -158.935
where: short stacking energy: -64.926
Base-Backbone interact. energy: 0.467
local terms energy: -78.698377
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -18.834
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: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -231.707534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.707534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.707534 (E_RNA)
where:
Base-Base interactions energy: -154.682
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.130
local terms energy: -76.896051
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -221.464028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.464028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.464028 (E_RNA)
where:
Base-Base interactions energy: -147.693
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.026
local terms energy: -73.744831
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -222.788037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.788037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.788037 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.016
local terms energy: -79.664540
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -214.956713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956713 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.194
local terms energy: -67.361920
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.864
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: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -82.606010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.606010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.606010 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.339
local terms energy: -51.106131
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -91.011855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.011855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.011855 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.216
local terms energy: -52.621182
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -91.782362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.782362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.782362 (E_RNA)
where:
Base-Base interactions energy: -46.809
where: short stacking energy: -21.660
Base-Backbone interact. energy: 1.922
local terms energy: -46.895073
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -1.967
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: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -76.867680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.867680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.867680 (E_RNA)
where:
Base-Base interactions energy: -26.702
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.154
local terms energy: -50.011893
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -242.963064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.963064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.963064 (E_RNA)
where:
Base-Base interactions energy: -161.719
where: short stacking energy: -69.651
Base-Backbone interact. energy: 0.243
local terms energy: -81.487595
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -23.843
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -235.669433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.669433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.669433 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.001
local terms energy: -77.543858
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -233.113131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.113131 (E_RNA)
where:
Base-Base interactions energy: -157.110
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.012
local terms energy: -75.991880
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -223.593009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.593009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.593009 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.145
local terms energy: -77.729577
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -19.260
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: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -224.730232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.730232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.730232 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.063
local terms energy: -73.035949
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -228.917515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.917515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.917515 (E_RNA)
where:
Base-Base interactions energy: -152.601
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.002
local terms energy: -76.314532
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -87.923365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923365 (E_RNA)
where:
Base-Base interactions energy: -37.491
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.070
local terms energy: -50.363071
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -94.384574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384574 (E_RNA)
where:
Base-Base interactions energy: -44.021
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.164
local terms energy: -50.199074
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -8.856
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -76.966799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.966799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.966799 (E_RNA)
where:
Base-Base interactions energy: -24.786
where: short stacking energy: -24.986
Base-Backbone interact. energy: 1.058
local terms energy: -53.239198
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -68.584929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.584929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.584929 (E_RNA)
where:
Base-Base interactions energy: -25.366
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.167
local terms energy: -43.051442
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -236.801250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.801250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.801250 (E_RNA)
where:
Base-Base interactions energy: -163.577
where: short stacking energy: -71.633
Base-Backbone interact. energy: -0.013
local terms energy: -73.210650
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -11.041
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: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -237.205637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.205637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.205637 (E_RNA)
where:
Base-Base interactions energy: -159.828
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.011
local terms energy: -77.366984
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -235.398884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.398884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.398884 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.251
local terms energy: -76.319122
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -221.594083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.594083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.594083 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.666
local terms energy: -73.866676
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.489
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: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -224.719358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719358 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.054
local terms energy: -75.762213
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -220.960556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.960556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.960556 (E_RNA)
where:
Base-Base interactions energy: -150.827
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.071
local terms energy: -70.063381
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -16.486
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: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -100.645678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645678 (E_RNA)
where:
Base-Base interactions energy: -43.277
where: short stacking energy: -35.973
Base-Backbone interact. energy: -0.157
local terms energy: -57.211065
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -82.784999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.784999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.784999 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -25.477
Base-Backbone interact. energy: 0.590
local terms energy: -57.720957
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.781194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.781194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.781194 (E_RNA)
where:
Base-Base interactions energy: -32.314
where: short stacking energy: -15.198
Base-Backbone interact. energy: -0.085
local terms energy: -47.382496
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -75.442858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.442858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.442858 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.097
local terms energy: -45.397938
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -6.194
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -237.786018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.786018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.786018 (E_RNA)
where:
Base-Base interactions energy: -159.093
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.043
local terms energy: -78.650497
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -236.827135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.827135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.827135 (E_RNA)
where:
Base-Base interactions energy: -157.674
where: short stacking energy: -67.806
Base-Backbone interact. energy: -0.004
local terms energy: -79.148384
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -231.307596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.307596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.307596 (E_RNA)
where:
Base-Base interactions energy: -151.635
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.084
local terms energy: -79.588304
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -224.165212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.165212 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.063
local terms energy: -80.078479
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -21.705
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: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -216.813185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.813185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813185 (E_RNA)
where:
Base-Base interactions energy: -144.191
where: short stacking energy: -62.527
Base-Backbone interact. energy: -0.082
local terms energy: -72.540453
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -229.642656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.642656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.642656 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.255
local terms energy: -78.300760
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -98.206898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.206898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.206898 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -37.788
Base-Backbone interact. energy: -0.005
local terms energy: -60.413865
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.477
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: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -75.558063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558063 (E_RNA)
where:
Base-Base interactions energy: -26.774
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.883
local terms energy: -47.901211
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: 3.978
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: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -73.451504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.451504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.451504 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.153
local terms energy: -44.735273
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -6.151
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: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -79.666729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.666729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.666729 (E_RNA)
where:
Base-Base interactions energy: -22.463
where: short stacking energy: -22.167
Base-Backbone interact. energy: -1.059
local terms energy: -56.145544
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -247.459053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.459053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.459053 (E_RNA)
where:
Base-Base interactions energy: -162.319
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.002
local terms energy: -85.138207
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.688
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: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -238.282263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.282263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.282263 (E_RNA)
where:
Base-Base interactions energy: -166.679
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.411
local terms energy: -71.192228
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -230.626276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.626276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.626276 (E_RNA)
where:
Base-Base interactions energy: -158.156
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.466
local terms energy: -72.004136
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -228.707478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.707478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.707478 (E_RNA)
where:
Base-Base interactions energy: -156.958
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.001
local terms energy: -71.748848
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.541
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: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -221.400266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.400266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.400266 (E_RNA)
where:
Base-Base interactions energy: -153.095
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.006
local terms energy: -68.299426
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -204.983813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.983813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.983813 (E_RNA)
where:
Base-Base interactions energy: -137.217
where: short stacking energy: -50.295
Base-Backbone interact. energy: -0.712
local terms energy: -67.054376
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -14.529
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -89.286757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.286757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.286757 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.109
local terms energy: -51.221496
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -3.938
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: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -84.746563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.746563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.746563 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -27.848
Base-Backbone interact. energy: -2.592
local terms energy: -48.441424
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -11.592
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: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -76.328910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.328910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.328910 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -22.694
Base-Backbone interact. energy: -0.318
local terms energy: -46.451786
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.729086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.729086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.729086 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -19.968
Base-Backbone interact. energy: -0.234
local terms energy: -53.115008
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -239.312472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312472 (E_RNA)
where:
Base-Base interactions energy: -153.495
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.013
local terms energy: -85.804875
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -230.789850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.789850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.789850 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.002
local terms energy: -77.147903
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -229.558538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.558538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.558538 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -67.572
Base-Backbone interact. energy: 0.154
local terms energy: -74.548667
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -8.948
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: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -228.762866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.762866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.762866 (E_RNA)
where:
Base-Base interactions energy: -146.945
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.399
local terms energy: -81.418415
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -19.401
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -219.967993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.967993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.967993 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -64.172
Base-Backbone interact. energy: -0.046
local terms energy: -67.916731
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -222.001732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.001732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.001732 (E_RNA)
where:
Base-Base interactions energy: -153.618
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.001
local terms energy: -68.382998
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -7.009
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -84.439739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439739 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -24.218
Base-Backbone interact. energy: -0.220
local terms energy: -56.334329
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -81.259519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259519 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.016
local terms energy: -49.763037
where:
bonds (distance) C4'-P energy: -4.709
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -4.594
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: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -108.990130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.990130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.990130 (E_RNA)
where:
Base-Base interactions energy: -62.999
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.012
local terms energy: -45.979092
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -3.000
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: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -109.938129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.938129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.938129 (E_RNA)
where:
Base-Base interactions energy: -62.191
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.022
local terms energy: -47.724637
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -8.161
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: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -237.280324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.280324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.280324 (E_RNA)
where:
Base-Base interactions energy: -158.609
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.312
local terms energy: -78.359103
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -234.838499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.838499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.838499 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.549
local terms energy: -79.900575
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -23.063
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -235.593770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.593770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.593770 (E_RNA)
where:
Base-Base interactions energy: -161.104
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.001
local terms energy: -74.489316
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -224.793002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.793002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.793002 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.553
local terms energy: -73.392297
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -220.675580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.675580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.675580 (E_RNA)
where:
Base-Base interactions energy: -149.740
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.023
local terms energy: -70.911802
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.040
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: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -209.126624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.126624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.126624 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.855
local terms energy: -71.187387
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -21.321
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: 208
Temperature: 1.200000
Total energy: -88.945360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.945360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.945360 (E_RNA)
where:
Base-Base interactions energy: -45.074
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.304
local terms energy: -43.568088
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -3.745
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -81.162316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.162316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.162316 (E_RNA)
where:
Base-Base interactions energy: -28.982
where: short stacking energy: -27.916
Base-Backbone interact. energy: -0.112
local terms energy: -52.068462
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -3.535
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: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -93.246857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.246857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.246857 (E_RNA)
where:
Base-Base interactions energy: -52.178
where: short stacking energy: -13.578
Base-Backbone interact. energy: -0.736
local terms energy: -40.332962
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -8.863
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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -103.748056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.748056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.748056 (E_RNA)
where:
Base-Base interactions energy: -58.873
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.216
local terms energy: -44.659511
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -239.005190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.005190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.005190 (E_RNA)
where:
Base-Base interactions energy: -156.063
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.069
local terms energy: -82.872863
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -236.504789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.504789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.504789 (E_RNA)
where:
Base-Base interactions energy: -153.937
where: short stacking energy: -68.521
Base-Backbone interact. energy: -0.003
local terms energy: -82.565461
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -229.639202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.639202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.639202 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.113
local terms energy: -81.089955
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -225.968603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968603 (E_RNA)
where:
Base-Base interactions energy: -152.267
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.016
local terms energy: -73.685898
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -20.702
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -229.925970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.925970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.925970 (E_RNA)
where:
Base-Base interactions energy: -157.166
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.002
local terms energy: -72.758430
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -219.418531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.418531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.418531 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -61.427
Base-Backbone interact. energy: 0.216
local terms energy: -72.694363
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -20.889
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: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -109.216563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.216563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.216563 (E_RNA)
where:
Base-Base interactions energy: -53.459
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.336
local terms energy: -55.421998
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -86.269631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.269631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.269631 (E_RNA)
where:
Base-Base interactions energy: -43.038
where: short stacking energy: -28.278
Base-Backbone interact. energy: 2.721
local terms energy: -45.952132
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 0.013
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: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -75.498284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.498284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.498284 (E_RNA)
where:
Base-Base interactions energy: -22.259
where: short stacking energy: -22.259
Base-Backbone interact. energy: -0.024
local terms energy: -53.215834
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -4.066
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: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -75.282048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.282048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.282048 (E_RNA)
where:
Base-Base interactions energy: -23.899
where: short stacking energy: -23.899
Base-Backbone interact. energy: -0.147
local terms energy: -51.236509
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -232.366892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.366892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.366892 (E_RNA)
where:
Base-Base interactions energy: -157.985
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.002
local terms energy: -74.379742
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -20.710
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -240.465325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.465325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.465325 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.096
local terms energy: -77.401055
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -223.903770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.903770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.903770 (E_RNA)
where:
Base-Base interactions energy: -145.238
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.017
local terms energy: -78.648794
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -19.033
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: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -228.871058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871058 (E_RNA)
where:
Base-Base interactions energy: -159.271
where: short stacking energy: -73.986
Base-Backbone interact. energy: -0.038
local terms energy: -69.562213
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -228.475961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.475961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.475961 (E_RNA)
where:
Base-Base interactions energy: -153.650
where: short stacking energy: -70.829
Base-Backbone interact. energy: -0.004
local terms energy: -74.821368
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.937
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: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -221.961364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.961364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.961364 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.000
local terms energy: -73.493298
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -83.841865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.841865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.841865 (E_RNA)
where:
Base-Base interactions energy: -35.721
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.732
local terms energy: -47.388438
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.598
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: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -78.058213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058213 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -26.855
Base-Backbone interact. energy: -0.912
local terms energy: -45.544146
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.871456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871456 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.024
local terms energy: -45.675704
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.316230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.316230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.316230 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.155
local terms energy: -52.392809
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -239.427571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.427571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.427571 (E_RNA)
where:
Base-Base interactions energy: -165.329
where: short stacking energy: -73.291
Base-Backbone interact. energy: 0.174
local terms energy: -74.273312
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -20.576
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: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -234.402595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.402595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.402595 (E_RNA)
where:
Base-Base interactions energy: -156.899
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.217
local terms energy: -77.287099
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -22.860
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: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -225.736448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.736448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.736448 (E_RNA)
where:
Base-Base interactions energy: -153.806
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.156
local terms energy: -71.775407
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.979
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: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -223.771161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.771161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.771161 (E_RNA)
where:
Base-Base interactions energy: -152.687
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.058
local terms energy: -71.026593
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -19.590
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: 211
Temperature: 1.100000
Total energy: -227.575439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.575439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.575439 (E_RNA)
where:
Base-Base interactions energy: -150.840
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.006
local terms energy: -76.729426
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -9.529
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: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -220.197270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197270 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.001
local terms energy: -70.705563
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -78.527920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.527920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.527920 (E_RNA)
where:
Base-Base interactions energy: -29.337
where: short stacking energy: -29.337
Base-Backbone interact. energy: -0.132
local terms energy: -49.059819
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -89.035677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035677 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.084
local terms energy: -55.741108
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -7.616
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: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -92.420702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420702 (E_RNA)
where:
Base-Base interactions energy: -46.592
where: short stacking energy: -23.556
Base-Backbone interact. energy: -0.102
local terms energy: -45.726577
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -85.070164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070164 (E_RNA)
where:
Base-Base interactions energy: -46.866
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.406
local terms energy: -37.797838
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -241.566535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.566535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.566535 (E_RNA)
where:
Base-Base interactions energy: -163.754
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.005
local terms energy: -77.807594
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.387
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: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -236.675602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.675602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.675602 (E_RNA)
where:
Base-Base interactions energy: -154.814
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.063
local terms energy: -81.799404
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.498
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: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -231.714154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.714154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.714154 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.307
local terms energy: -74.851894
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.877
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: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -221.448824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.448824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.448824 (E_RNA)
where:
Base-Base interactions energy: -148.492
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.421
local terms energy: -72.535431
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.976
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: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -223.947882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.947882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.947882 (E_RNA)
where:
Base-Base interactions energy: -154.608
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.182
local terms energy: -69.157524
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -18.708
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: 212
Temperature: 1.150000
Total energy: -218.641691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641691 (E_RNA)
where:
Base-Base interactions energy: -152.722
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.072
local terms energy: -65.847246
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -82.042602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.042602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.042602 (E_RNA)
where:
Base-Base interactions energy: -22.590
where: short stacking energy: -20.616
Base-Backbone interact. energy: -1.067
local terms energy: -58.385698
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -2.525
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: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -88.346522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.346522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.346522 (E_RNA)
where:
Base-Base interactions energy: -36.118
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.241
local terms energy: -51.987395
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -84.674957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.674957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.674957 (E_RNA)
where:
Base-Base interactions energy: -32.488
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.377
local terms energy: -51.810189
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -5.491
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: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -73.831238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.831238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.831238 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -24.035
Base-Backbone interact. energy: 0.735
local terms energy: -50.531829
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -3.850
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: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -241.210348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.210348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.210348 (E_RNA)
where:
Base-Base interactions energy: -159.482
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.003
local terms energy: -81.725999
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -21.491
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -232.534837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.534837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.534837 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -68.939
Base-Backbone interact. energy: 0.858
local terms energy: -79.605056
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -226.369426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.369426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.369426 (E_RNA)
where:
Base-Base interactions energy: -155.114
where: short stacking energy: -60.754
Base-Backbone interact. energy: 1.637
local terms energy: -72.891791
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -20.996
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -222.597927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.597927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.597927 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.436
local terms energy: -76.576908
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -218.843453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843453 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.011
local terms energy: -71.423823
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -215.793092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.793092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.793092 (E_RNA)
where:
Base-Base interactions energy: -152.593
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.099
local terms energy: -63.101225
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -89.218669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.218669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.218669 (E_RNA)
where:
Base-Base interactions energy: -34.367
where: short stacking energy: -34.367
Base-Backbone interact. energy: 0.187
local terms energy: -55.039084
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.877
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: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -98.696468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.696468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.696468 (E_RNA)
where:
Base-Base interactions energy: -39.368
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.170
local terms energy: -59.157747
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -84.696708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696708 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.370
local terms energy: -45.594434
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -61.877272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.877272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.877272 (E_RNA)
where:
Base-Base interactions energy: -15.310
where: short stacking energy: -13.770
Base-Backbone interact. energy: -0.203
local terms energy: -46.364363
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -241.728661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.728661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.728661 (E_RNA)
where:
Base-Base interactions energy: -165.944
where: short stacking energy: -74.196
Base-Backbone interact. energy: -0.301
local terms energy: -75.483674
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -239.349890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.349890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.349890 (E_RNA)
where:
Base-Base interactions energy: -162.858
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.082
local terms energy: -76.409805
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -227.141303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141303 (E_RNA)
where:
Base-Base interactions energy: -150.121
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.001
local terms energy: -77.019763
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -226.505793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.505793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.505793 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.033
local terms energy: -73.618935
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -21.188
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: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -223.254262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254262 (E_RNA)
where:
Base-Base interactions energy: -148.196
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.034
local terms energy: -75.024114
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -11.106
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: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -217.789278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.789278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.789278 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.618
local terms energy: -73.726066
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -18.908
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: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -99.541043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.541043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.541043 (E_RNA)
where:
Base-Base interactions energy: -40.981
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.092
local terms energy: -58.468782
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -8.240
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: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -84.755642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755642 (E_RNA)
where:
Base-Base interactions energy: -27.351
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.006
local terms energy: -57.399164
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -88.814020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814020 (E_RNA)
where:
Base-Base interactions energy: -35.622
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.665
local terms energy: -52.526621
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -10.875
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: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -75.850915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.850915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.850915 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -32.781
Base-Backbone interact. energy: 0.778
local terms energy: -43.847318
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -2.957
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: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -236.051372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.051372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.051372 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -71.504
Base-Backbone interact. energy: -0.106
local terms energy: -75.871108
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -229.720758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.720758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.720758 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.057
local terms energy: -79.001990
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -233.004647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.004647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.004647 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.001
local terms energy: -79.575014
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -22.779
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -226.562295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.562295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.562295 (E_RNA)
where:
Base-Base interactions energy: -155.484
where: short stacking energy: -65.299
Base-Backbone interact. energy: 2.338
local terms energy: -73.417266
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -223.231161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231161 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -64.500
Base-Backbone interact. energy: -0.018
local terms energy: -67.451234
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -222.245591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.245591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.245591 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.041
local terms energy: -75.901663
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -96.186733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.186733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.186733 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -30.383
Base-Backbone interact. energy: -0.250
local terms energy: -61.644257
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -4.770
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: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -84.782412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782412 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.277
local terms energy: -48.947686
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -4.787
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: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -81.488666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488666 (E_RNA)
where:
Base-Base interactions energy: -26.129
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.017
local terms energy: -55.342161
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -6.852
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: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -76.449076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449076 (E_RNA)
where:
Base-Base interactions energy: -22.626
where: short stacking energy: -14.304
Base-Backbone interact. energy: -1.379
local terms energy: -52.443833
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -237.133740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.133740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.133740 (E_RNA)
where:
Base-Base interactions energy: -157.799
where: short stacking energy: -68.361
Base-Backbone interact. energy: -0.199
local terms energy: -79.136464
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -22.989
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: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -242.625780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.625780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.625780 (E_RNA)
where:
Base-Base interactions energy: -164.246
where: short stacking energy: -70.903
Base-Backbone interact. energy: 0.012
local terms energy: -78.391959
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -236.300558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.300558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.300558 (E_RNA)
where:
Base-Base interactions energy: -155.543
where: short stacking energy: -73.751
Base-Backbone interact. energy: 0.165
local terms energy: -80.923242
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -230.088802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.088802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.088802 (E_RNA)
where:
Base-Base interactions energy: -155.843
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.090
local terms energy: -74.155932
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -219.466953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.466953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.466953 (E_RNA)
where:
Base-Base interactions energy: -149.702
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.052
local terms energy: -69.713464
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -19.845
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: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -206.013933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013933 (E_RNA)
where:
Base-Base interactions energy: -144.971
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.000
local terms energy: -61.043117
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -87.581075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.581075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.581075 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.107
local terms energy: -53.622718
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -97.295971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.295971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.295971 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.295
local terms energy: -59.078715
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -83.575413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.575413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.575413 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.075
local terms energy: -44.185081
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -67.311048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.311048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.311048 (E_RNA)
where:
Base-Base interactions energy: -22.525
where: short stacking energy: -21.403
Base-Backbone interact. energy: -0.162
local terms energy: -44.623712
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -236.701606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.701606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.701606 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.002
local terms energy: -84.584939
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -20.277
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: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -227.722241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.722241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.722241 (E_RNA)
where:
Base-Base interactions energy: -153.683
where: short stacking energy: -67.399
Base-Backbone interact. energy: 1.583
local terms energy: -75.621990
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -228.365809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.365809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.365809 (E_RNA)
where:
Base-Base interactions energy: -153.054
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.000
local terms energy: -75.311822
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -22.533
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: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -228.093193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.093193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.093193 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.039
local terms energy: -81.669224
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -21.440
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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -228.337172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.337172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.337172 (E_RNA)
where:
Base-Base interactions energy: -154.320
where: short stacking energy: -72.644
Base-Backbone interact. energy: -0.082
local terms energy: -73.935397
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -221.097588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097588 (E_RNA)
where:
Base-Base interactions energy: -150.685
where: short stacking energy: -66.744
Base-Backbone interact. energy: -0.026
local terms energy: -70.385931
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -85.654877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654877 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.021
local terms energy: -54.004850
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -4.036
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: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -87.441479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441479 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.291
local terms energy: -54.390887
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -4.552
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: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -102.732385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.732385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.732385 (E_RNA)
where:
Base-Base interactions energy: -46.441
where: short stacking energy: -39.446
Base-Backbone interact. energy: -0.009
local terms energy: -56.282826
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -9.705
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: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -73.073494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.073494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.073494 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.220
local terms energy: -41.459595
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -237.328250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.328250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328250 (E_RNA)
where:
Base-Base interactions energy: -160.845
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.042
local terms energy: -76.441345
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -22.289
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -237.603208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.603208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603208 (E_RNA)
where:
Base-Base interactions energy: -153.912
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.002
local terms energy: -83.689448
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -232.600536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.600536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.600536 (E_RNA)
where:
Base-Base interactions energy: -150.694
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.025
local terms energy: -81.880907
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -22.695
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: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -220.745974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.745974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.745974 (E_RNA)
where:
Base-Base interactions energy: -152.778
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.093
local terms energy: -67.874551
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -222.452905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.452905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.452905 (E_RNA)
where:
Base-Base interactions energy: -155.069
where: short stacking energy: -70.586
Base-Backbone interact. energy: 0.487
local terms energy: -67.870879
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -19.078
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -205.659982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659982 (E_RNA)
where:
Base-Base interactions energy: -132.491
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.003
local terms energy: -73.165883
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -95.304983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.304983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.304983 (E_RNA)
where:
Base-Base interactions energy: -40.867
where: short stacking energy: -32.679
Base-Backbone interact. energy: -0.003
local terms energy: -54.434045
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -5.882
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -92.916245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.916245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.916245 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.108
local terms energy: -58.875017
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -76.481410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481410 (E_RNA)
where:
Base-Base interactions energy: -24.230
where: short stacking energy: -21.228
Base-Backbone interact. energy: -0.919
local terms energy: -51.332344
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -78.976405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976405 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -27.942
Base-Backbone interact. energy: -0.179
local terms energy: -48.175560
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -232.542464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.542464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.542464 (E_RNA)
where:
Base-Base interactions energy: -155.647
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.032
local terms energy: -76.863576
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -13.113
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: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -236.744174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.744174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.744174 (E_RNA)
where:
Base-Base interactions energy: -162.937
where: short stacking energy: -66.913
Base-Backbone interact. energy: -0.025
local terms energy: -73.781700
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -223.510183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.510183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.510183 (E_RNA)
where:
Base-Base interactions energy: -148.994
where: short stacking energy: -60.665
Base-Backbone interact. energy: 0.763
local terms energy: -75.280039
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -223.539075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.539075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.539075 (E_RNA)
where:
Base-Base interactions energy: -156.540
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.020
local terms energy: -66.978820
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -220.316608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.316608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.316608 (E_RNA)
where:
Base-Base interactions energy: -146.050
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.014
local terms energy: -74.252706
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -17.905
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: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -222.776744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.776744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.776744 (E_RNA)
where:
Base-Base interactions energy: -152.275
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.253
local terms energy: -70.248951
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -87.239880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.239880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.239880 (E_RNA)
where:
Base-Base interactions energy: -35.229
where: short stacking energy: -35.229
Base-Backbone interact. energy: 1.420
local terms energy: -53.430724
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -87.870266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.870266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.870266 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -38.628
Base-Backbone interact. energy: -0.027
local terms energy: -49.215536
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -6.452
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: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -79.423620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.423620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.423620 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -35.768
Base-Backbone interact. energy: -0.020
local terms energy: -42.906644
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.599307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599307 (E_RNA)
where:
Base-Base interactions energy: -22.886
where: short stacking energy: -22.071
Base-Backbone interact. energy: -0.091
local terms energy: -54.622118
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -238.308631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.308631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.308631 (E_RNA)
where:
Base-Base interactions energy: -160.676
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.001
local terms energy: -77.631516
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -21.264
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: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -231.013523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.013523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.013523 (E_RNA)
where:
Base-Base interactions energy: -153.519
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.007
local terms energy: -77.487568
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -18.984
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -227.531942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.531942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.531942 (E_RNA)
where:
Base-Base interactions energy: -153.687
where: short stacking energy: -63.134
Base-Backbone interact. energy: 0.729
local terms energy: -74.573935
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -16.389
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -225.057007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057007 (E_RNA)
where:
Base-Base interactions energy: -146.149
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.156
local terms energy: -78.752432
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -222.075603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.075603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.075603 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.109
local terms energy: -79.025824
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -18.817
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -211.632241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.632241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.632241 (E_RNA)
where:
Base-Base interactions energy: -144.998
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.210
local terms energy: -66.423612
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -17.451
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: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -84.536880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536880 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -15.733
Base-Backbone interact. energy: -0.039
local terms energy: -47.152495
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -85.037201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037201 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -36.482
Base-Backbone interact. energy: 0.170
local terms energy: -50.886618
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.965
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: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -76.392283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.392283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.392283 (E_RNA)
where:
Base-Base interactions energy: -24.068
where: short stacking energy: -20.830
Base-Backbone interact. energy: -0.358
local terms energy: -51.966819
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -90.882783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.882783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.882783 (E_RNA)
where:
Base-Base interactions energy: -36.850
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.281
local terms energy: -53.751936
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -239.745618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.745618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.745618 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.331
local terms energy: -82.039701
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -231.460933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.460933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.460933 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.156
local terms energy: -78.677752
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -230.723617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.723617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.723617 (E_RNA)
where:
Base-Base interactions energy: -152.928
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.042
local terms energy: -77.754200
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -20.302
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: 221
Temperature: 1.050000
Total energy: -232.470486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.470486 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -68.643
Base-Backbone interact. energy: -0.001
local terms energy: -79.450191
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -22.226
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: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -218.072080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.072080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.072080 (E_RNA)
where:
Base-Base interactions energy: -146.950
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.005
local terms energy: -71.116983
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -219.834886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834886 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.015
local terms energy: -74.356813
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -81.223313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.223313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.223313 (E_RNA)
where:
Base-Base interactions energy: -22.596
where: short stacking energy: -22.596
Base-Backbone interact. energy: -1.838
local terms energy: -56.789001
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -76.477259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.477259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.477259 (E_RNA)
where:
Base-Base interactions energy: -27.202
where: short stacking energy: -26.493
Base-Backbone interact. energy: 0.332
local terms energy: -49.607518
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: 0.350
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -101.532853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.532853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.532853 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -28.887
Base-Backbone interact. energy: -0.370
local terms energy: -49.205956
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -4.291
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: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -74.801557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.801557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.801557 (E_RNA)
where:
Base-Base interactions energy: -28.517
where: short stacking energy: -25.645
Base-Backbone interact. energy: 0.286
local terms energy: -46.570632
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -236.556155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.556155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.556155 (E_RNA)
where:
Base-Base interactions energy: -155.513
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.080
local terms energy: -80.963090
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -240.233210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.233210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.233210 (E_RNA)
where:
Base-Base interactions energy: -163.032
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.002
local terms energy: -77.199244
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -20.085
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: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -224.148617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.148617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.148617 (E_RNA)
where:
Base-Base interactions energy: -149.150
where: short stacking energy: -65.668
Base-Backbone interact. energy: -0.085
local terms energy: -74.913075
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -19.951
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: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -223.670673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.670673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.670673 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.060
local terms energy: -72.695578
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -21.104
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: 222
Temperature: 1.100000
Total energy: -223.345064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.345064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.345064 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.097
local terms energy: -69.470953
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -19.327
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -222.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.348894 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.092
local terms energy: -77.423012
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -103.566347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.566347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.566347 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -38.611
Base-Backbone interact. energy: -0.073
local terms energy: -60.551430
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -87.220814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220814 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.098
local terms energy: -50.657383
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -7.329
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: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -79.819432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819432 (E_RNA)
where:
Base-Base interactions energy: -29.953
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.284
local terms energy: -49.582598
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -2.185
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: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -123.466450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.466450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.466450 (E_RNA)
where:
Base-Base interactions energy: -69.743
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.035
local terms energy: -53.689137
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -238.067180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.067180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.067180 (E_RNA)
where:
Base-Base interactions energy: -155.558
where: short stacking energy: -69.023
Base-Backbone interact. energy: -0.007
local terms energy: -82.501210
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -19.884
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: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -226.297380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.297380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.297380 (E_RNA)
where:
Base-Base interactions energy: -146.889
where: short stacking energy: -68.841
Base-Backbone interact. energy: -0.124
local terms energy: -79.284540
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -225.046288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.046288 (E_RNA)
where:
Base-Base interactions energy: -146.096
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.099
local terms energy: -78.851271
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -226.656879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.656879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.656879 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.059
local terms energy: -78.072650
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -222.892534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892534 (E_RNA)
where:
Base-Base interactions energy: -147.888
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.029
local terms energy: -74.976002
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -211.171285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.171285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171285 (E_RNA)
where:
Base-Base interactions energy: -140.966
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.341
local terms energy: -69.864775
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -97.028442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.028442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.028442 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.143
local terms energy: -59.075800
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -7.828
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: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -86.350266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.350266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.350266 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.483
local terms energy: -50.754444
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -81.555644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555644 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.187
local terms energy: -46.689190
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -10.173
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: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -127.525350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.525350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.525350 (E_RNA)
where:
Base-Base interactions energy: -75.361
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.158
local terms energy: -52.006345
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -1.161
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: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -240.536100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.536100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.536100 (E_RNA)
where:
Base-Base interactions energy: -163.775
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.083
local terms energy: -76.678285
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -236.204153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.204153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.204153 (E_RNA)
where:
Base-Base interactions energy: -159.389
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.163
local terms energy: -76.652590
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -22.041
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -234.881646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.881646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.881646 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.064
local terms energy: -80.972590
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -216.694976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.694976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.694976 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.000
local terms energy: -72.615230
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -19.164
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: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -221.877121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.877121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.877121 (E_RNA)
where:
Base-Base interactions energy: -150.863
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.194
local terms energy: -70.819967
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -18.990
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: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -196.522309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.522309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522309 (E_RNA)
where:
Base-Base interactions energy: -128.671
where: short stacking energy: -52.068
Base-Backbone interact. energy: -0.273
local terms energy: -67.578586
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.859
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: 224
Temperature: 1.200000
Total energy: -94.260177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.260177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.260177 (E_RNA)
where:
Base-Base interactions energy: -45.934
where: short stacking energy: -35.386
Base-Backbone interact. energy: -0.224
local terms energy: -48.102734
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -2.605
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: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -132.345286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.345286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.345286 (E_RNA)
where:
Base-Base interactions energy: -79.450
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.367
local terms energy: -52.528072
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -4.561
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -78.714354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.714354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.714354 (E_RNA)
where:
Base-Base interactions energy: -30.932
where: short stacking energy: -30.932
Base-Backbone interact. energy: -0.180
local terms energy: -47.603035
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: 1.745
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -73.436970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.436970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.436970 (E_RNA)
where:
Base-Base interactions energy: -27.085
where: short stacking energy: -11.055
Base-Backbone interact. energy: 1.593
local terms energy: -47.945352
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: 2.584
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -242.900029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.900029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.900029 (E_RNA)
where:
Base-Base interactions energy: -162.309
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.001
local terms energy: -80.590335
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -230.006709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.006709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.006709 (E_RNA)
where:
Base-Base interactions energy: -158.342
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.011
local terms energy: -71.653290
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -229.538708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.538708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.538708 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.033
local terms energy: -70.575624
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -18.431
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: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -220.528054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.528054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.528054 (E_RNA)
where:
Base-Base interactions energy: -157.024
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.350
local terms energy: -63.154610
where:
bonds (distance) C4'-P energy: -6.809
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -223.773200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.773200 (E_RNA)
where:
Base-Base interactions energy: -150.972
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.050
local terms energy: -72.750800
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.788
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: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -193.341711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.341711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.341711 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.249
local terms energy: -61.384336
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -96.023683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023683 (E_RNA)
where:
Base-Base interactions energy: -47.517
where: short stacking energy: -22.358
Base-Backbone interact. energy: -1.000
local terms energy: -47.506366
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -1.383
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: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -144.554744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.554744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.554744 (E_RNA)
where:
Base-Base interactions energy: -82.766
where: short stacking energy: -39.346
Base-Backbone interact. energy: -0.106
local terms energy: -61.682730
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -9.228
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: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -112.983809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.983809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.983809 (E_RNA)
where:
Base-Base interactions energy: -64.178
where: short stacking energy: -27.709
Base-Backbone interact. energy: -0.128
local terms energy: -48.677672
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -77.475235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.475235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.475235 (E_RNA)
where:
Base-Base interactions energy: -29.822
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.316
local terms energy: -47.337763
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -5.742
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -240.791840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.791840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.791840 (E_RNA)
where:
Base-Base interactions energy: -159.334
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.004
local terms energy: -81.453248
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -239.838824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.838824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.838824 (E_RNA)
where:
Base-Base interactions energy: -160.532
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.086
local terms energy: -79.220835
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -229.985420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.985420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.985420 (E_RNA)
where:
Base-Base interactions energy: -153.316
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.106
local terms energy: -76.563565
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -9.716
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: 226
Temperature: 1.050000
Total energy: -228.475613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.475613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.475613 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.037
local terms energy: -78.818158
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -220.645695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645695 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.865
local terms energy: -71.593058
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.409
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: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -223.697784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.697784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.697784 (E_RNA)
where:
Base-Base interactions energy: -160.098
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.014
local terms energy: -63.586264
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -157.090558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.090558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.090558 (E_RNA)
where:
Base-Base interactions energy: -99.435
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.216
local terms energy: -57.439492
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -8.125
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: 226
Temperature: 1.250000
Total energy: -135.830243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.830243 (E_RNA)
where:
Base-Base interactions energy: -77.011
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.134
local terms energy: -58.684408
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -13.420
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -127.984372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.984372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.984372 (E_RNA)
where:
Base-Base interactions energy: -80.545
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.158
local terms energy: -47.281847
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -86.909794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.909794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.909794 (E_RNA)
where:
Base-Base interactions energy: -44.532
where: short stacking energy: -23.238
Base-Backbone interact. energy: 2.090
local terms energy: -44.467700
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -238.989728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.989728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.989728 (E_RNA)
where:
Base-Base interactions energy: -157.632
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.706
local terms energy: -80.651852
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -228.680222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.680222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.680222 (E_RNA)
where:
Base-Base interactions energy: -153.065
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.055
local terms energy: -75.559936
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.476
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -231.591362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.591362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.591362 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.001
local terms energy: -80.613867
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -229.386603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.386603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.386603 (E_RNA)
where:
Base-Base interactions energy: -149.354
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.032
local terms energy: -80.000188
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -19.459
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -229.358004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358004 (E_RNA)
where:
Base-Base interactions energy: -154.287
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.020
local terms energy: -75.050988
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -215.009956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009956 (E_RNA)
where:
Base-Base interactions energy: -145.355
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.174
local terms energy: -69.480633
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -20.494
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: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -154.554277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.554277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.554277 (E_RNA)
where:
Base-Base interactions energy: -92.567
where: short stacking energy: -40.805
Base-Backbone interact. energy: 2.315
local terms energy: -64.302638
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -7.468
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: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -126.252766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.252766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.252766 (E_RNA)
where:
Base-Base interactions energy: -72.605
where: short stacking energy: -32.215
Base-Backbone interact. energy: -0.494
local terms energy: -53.154132
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -6.190
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -7.422
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: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -89.288259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.288259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.288259 (E_RNA)
where:
Base-Base interactions energy: -51.464
where: short stacking energy: -22.701
Base-Backbone interact. energy: -0.168
local terms energy: -37.656705
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -5.116
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: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -74.767973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.767973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.767973 (E_RNA)
where:
Base-Base interactions energy: -24.922
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.102
local terms energy: -49.743923
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -0.006
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -237.342560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342560 (E_RNA)
where:
Base-Base interactions energy: -157.209
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.170
local terms energy: -79.964370
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -20.933
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: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -236.362049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.362049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.362049 (E_RNA)
where:
Base-Base interactions energy: -161.550
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.003
local terms energy: -74.809033
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -227.566055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.566055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.566055 (E_RNA)
where:
Base-Base interactions energy: -154.600
where: short stacking energy: -66.669
Base-Backbone interact. energy: 0.335
local terms energy: -73.300737
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -225.154681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.154681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.154681 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.001
local terms energy: -72.795371
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -18.007
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: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -227.200216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200216 (E_RNA)
where:
Base-Base interactions energy: -150.294
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.034
local terms energy: -76.872249
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -19.175
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: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -218.398578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398578 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.097
local terms energy: -67.640783
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -145.265986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.265986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.265986 (E_RNA)
where:
Base-Base interactions energy: -85.622
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.009
local terms energy: -59.634789
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -148.867417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.867417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.867417 (E_RNA)
where:
Base-Base interactions energy: -94.871
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.365
local terms energy: -53.631522
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -80.664986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664986 (E_RNA)
where:
Base-Base interactions energy: -28.203
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.106
local terms energy: -52.356807
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -4.762
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: 228
Temperature: 1.350000
Total energy: -73.935228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.935228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.935228 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.375
local terms energy: -40.670643
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -6.803
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -245.775132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.775132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.775132 (E_RNA)
where:
Base-Base interactions energy: -163.011
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.018
local terms energy: -82.745813
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -242.115121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.115121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.115121 (E_RNA)
where:
Base-Base interactions energy: -164.652
where: short stacking energy: -72.866
Base-Backbone interact. energy: 1.611
local terms energy: -79.073491
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -225.582717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.582717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.582717 (E_RNA)
where:
Base-Base interactions energy: -148.064
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.297
local terms energy: -77.221666
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -20.247
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -231.997929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.997929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.997929 (E_RNA)
where:
Base-Base interactions energy: -159.217
where: short stacking energy: -71.638
Base-Backbone interact. energy: 0.248
local terms energy: -73.029250
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.022
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: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -223.419896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.419896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.419896 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.291
local terms energy: -74.769404
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -214.566331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.566331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.566331 (E_RNA)
where:
Base-Base interactions energy: -148.946
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.318
local terms energy: -65.302487
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -137.651354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.651354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.651354 (E_RNA)
where:
Base-Base interactions energy: -76.716
where: short stacking energy: -34.187
Base-Backbone interact. energy: 0.121
local terms energy: -61.056856
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -6.885
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -149.432266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.432266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.432266 (E_RNA)
where:
Base-Base interactions energy: -93.179
where: short stacking energy: -51.424
Base-Backbone interact. energy: -0.008
local terms energy: -56.244820
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -13.002
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: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -79.589685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589685 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -31.304
Base-Backbone interact. energy: 0.925
local terms energy: -48.036217
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -4.041
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: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -83.244592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244592 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.132
local terms energy: -50.288206
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -4.043
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: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -241.464296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.464296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.464296 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.077
local terms energy: -83.720017
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -232.391332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.391332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.391332 (E_RNA)
where:
Base-Base interactions energy: -150.617
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.808
local terms energy: -80.965611
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -20.779
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -232.897882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897882 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.094
local terms energy: -85.447755
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.609
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -224.942604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.942604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942604 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.007
local terms energy: -72.609388
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -218.850292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.850292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.850292 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -63.663
Base-Backbone interact. energy: 0.250
local terms energy: -71.360598
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -16.323
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: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -212.905093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.905093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.905093 (E_RNA)
where:
Base-Base interactions energy: -140.638
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.000
local terms energy: -72.267118
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -183.770668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.770668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.770668 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.086
local terms energy: -72.192257
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -15.976
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -133.008639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.008639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.008639 (E_RNA)
where:
Base-Base interactions energy: -75.367
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.162
local terms energy: -57.479760
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -81.353728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.353728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.353728 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -35.139
Base-Backbone interact. energy: -0.147
local terms energy: -46.068366
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -88.390109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.390109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.390109 (E_RNA)
where:
Base-Base interactions energy: -35.481
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.643
local terms energy: -52.266338
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -240.221343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.221343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.221343 (E_RNA)
where:
Base-Base interactions energy: -158.156
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.265
local terms energy: -81.800031
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -239.558479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.558479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.558479 (E_RNA)
where:
Base-Base interactions energy: -157.911
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.044
local terms energy: -81.603027
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.979
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: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -230.016790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.016790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.016790 (E_RNA)
where:
Base-Base interactions energy: -149.790
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.004
local terms energy: -80.222542
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -22.481
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -229.842878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.842878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.842878 (E_RNA)
where:
Base-Base interactions energy: -156.085
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.197
local terms energy: -73.560231
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -215.274368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.274368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.274368 (E_RNA)
where:
Base-Base interactions energy: -145.995
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.016
local terms energy: -69.263173
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -214.705253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.705253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.705253 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.095
local terms energy: -68.464371
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -205.303624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.303624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.303624 (E_RNA)
where:
Base-Base interactions energy: -145.129
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.029
local terms energy: -60.146305
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -142.046111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.046111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.046111 (E_RNA)
where:
Base-Base interactions energy: -83.058
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.058
local terms energy: -58.930202
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -7.490
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: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.224994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.224994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.224994 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -34.357
Base-Backbone interact. energy: 0.255
local terms energy: -50.123641
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -5.988
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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -82.377187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377187 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -29.247
Base-Backbone interact. energy: -0.087
local terms energy: -53.042707
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -240.772433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.772433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.772433 (E_RNA)
where:
Base-Base interactions energy: -156.510
where: short stacking energy: -65.826
Base-Backbone interact. energy: -1.003
local terms energy: -83.259259
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.250
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: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -232.271439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.271439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.271439 (E_RNA)
where:
Base-Base interactions energy: -154.895
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.074
local terms energy: -77.302207
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -20.178
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -220.065796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065796 (E_RNA)
where:
Base-Base interactions energy: -150.092
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.001
local terms energy: -69.972456
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -228.027437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.027437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.027437 (E_RNA)
where:
Base-Base interactions energy: -152.795
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.195
local terms energy: -75.037132
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -12.621
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: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -224.071633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.071633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.071633 (E_RNA)
where:
Base-Base interactions energy: -145.733
where: short stacking energy: -59.706
Base-Backbone interact. energy: -0.009
local terms energy: -78.330108
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.401
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: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -219.832996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.832996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.832996 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.166
local terms energy: -74.913329
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -201.836344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.836344 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -51.371
Base-Backbone interact. energy: -0.722
local terms energy: -64.205704
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -12.307
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: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -141.471631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.471631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.471631 (E_RNA)
where:
Base-Base interactions energy: -81.321
where: short stacking energy: -38.097
Base-Backbone interact. energy: -0.172
local terms energy: -59.978089
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -84.842801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.842801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.842801 (E_RNA)
where:
Base-Base interactions energy: -32.773
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.002
local terms energy: -52.067839
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -3.126
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -71.098512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.098512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.098512 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.136
local terms energy: -45.327957
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -1.336
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: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -234.150746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.150746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.150746 (E_RNA)
where:
Base-Base interactions energy: -153.794
where: short stacking energy: -75.446
Base-Backbone interact. energy: -0.002
local terms energy: -80.354541
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -10.620
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -237.043097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.043097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.043097 (E_RNA)
where:
Base-Base interactions energy: -161.048
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.001
local terms energy: -75.993821
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -21.160
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: 233
Temperature: 1.000000
Total energy: -231.398753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.398753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.398753 (E_RNA)
where:
Base-Base interactions energy: -158.110
where: short stacking energy: -72.146
Base-Backbone interact. energy: -0.061
local terms energy: -73.227471
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.010
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: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -224.913662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.913662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.913662 (E_RNA)
where:
Base-Base interactions energy: -144.391
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.084
local terms energy: -80.438959
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -214.420442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.420442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420442 (E_RNA)
where:
Base-Base interactions energy: -136.632
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.100
local terms energy: -77.688392
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -208.280551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280551 (E_RNA)
where:
Base-Base interactions energy: -135.032
where: short stacking energy: -50.460
Base-Backbone interact. energy: -0.166
local terms energy: -73.082510
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -11.564
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: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -201.260972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260972 (E_RNA)
where:
Base-Base interactions energy: -134.258
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.505
local terms energy: -66.497446
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -154.898092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.898092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.898092 (E_RNA)
where:
Base-Base interactions energy: -97.814
where: short stacking energy: -42.777
Base-Backbone interact. energy: -0.121
local terms energy: -56.962710
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -79.003988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.003988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.003988 (E_RNA)
where:
Base-Base interactions energy: -25.280
where: short stacking energy: -25.127
Base-Backbone interact. energy: -0.020
local terms energy: -53.703921
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -4.605
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: 233
Temperature: 1.350000
Total energy: -76.488557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.488557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.488557 (E_RNA)
where:
Base-Base interactions energy: -23.041
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.360
local terms energy: -53.087270
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -12.549
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: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -238.499129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.499129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.499129 (E_RNA)
where:
Base-Base interactions energy: -160.722
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.146
local terms energy: -77.630663
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.751
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: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -235.572347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.572347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.572347 (E_RNA)
where:
Base-Base interactions energy: -156.533
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.011
local terms energy: -79.028991
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -224.383161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.383161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.383161 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.118
local terms energy: -77.064364
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -21.053
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: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -225.655122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655122 (E_RNA)
where:
Base-Base interactions energy: -153.417
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.252
local terms energy: -71.985957
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -20.802
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -218.785527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.785527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.785527 (E_RNA)
where:
Base-Base interactions energy: -148.967
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.030
local terms energy: -69.788970
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -20.247
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: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -221.835049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.835049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.835049 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.002
local terms energy: -76.067609
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.664
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: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -212.193414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.193414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.193414 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -60.634
Base-Backbone interact. energy: -0.931
local terms energy: -62.801464
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -141.855387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.855387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.855387 (E_RNA)
where:
Base-Base interactions energy: -84.986
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.310
local terms energy: -56.559546
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -74.975884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.975884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.975884 (E_RNA)
where:
Base-Base interactions energy: -22.428
where: short stacking energy: -22.368
Base-Backbone interact. energy: -0.122
local terms energy: -52.425419
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -84.856784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.856784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.856784 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.035
local terms energy: -49.931065
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.899
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: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -237.713598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.713598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.713598 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -69.332
Base-Backbone interact. energy: -0.205
local terms energy: -79.638605
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -234.206237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.206237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.206237 (E_RNA)
where:
Base-Base interactions energy: -154.060
where: short stacking energy: -64.703
Base-Backbone interact. energy: -0.001
local terms energy: -80.145934
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -227.134394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.134394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.134394 (E_RNA)
where:
Base-Base interactions energy: -152.683
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.147
local terms energy: -74.304522
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.116
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -226.559011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559011 (E_RNA)
where:
Base-Base interactions energy: -157.119
where: short stacking energy: -70.421
Base-Backbone interact. energy: -0.099
local terms energy: -69.341012
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -225.911717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.911717 (E_RNA)
where:
Base-Base interactions energy: -147.551
where: short stacking energy: -66.646
Base-Backbone interact. energy: 0.606
local terms energy: -78.966971
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -18.449
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: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -210.971257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.971257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.971257 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.312
local terms energy: -69.553980
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -207.608474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.608474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.608474 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.268
local terms energy: -66.764291
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -18.050
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -135.530144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.530144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.530144 (E_RNA)
where:
Base-Base interactions energy: -81.804
where: short stacking energy: -45.650
Base-Backbone interact. energy: -0.020
local terms energy: -53.706610
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -6.943
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: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -110.376451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.376451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.376451 (E_RNA)
where:
Base-Base interactions energy: -63.570
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.205
local terms energy: -46.601845
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.270
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -74.227473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227473 (E_RNA)
where:
Base-Base interactions energy: -21.322
where: short stacking energy: -21.322
Base-Backbone interact. energy: -0.046
local terms energy: -52.859979
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -234.299024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.299024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.299024 (E_RNA)
where:
Base-Base interactions energy: -164.676
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.287
local terms energy: -69.336670
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -20.607
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: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -230.502344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.502344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.502344 (E_RNA)
where:
Base-Base interactions energy: -154.492
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.001
local terms energy: -76.009436
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -224.275257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.275257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.275257 (E_RNA)
where:
Base-Base interactions energy: -158.178
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.487
local terms energy: -65.610573
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -228.900814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.900814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.900814 (E_RNA)
where:
Base-Base interactions energy: -155.020
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.018
local terms energy: -73.863185
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -18.677
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: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -227.623174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.623174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.623174 (E_RNA)
where:
Base-Base interactions energy: -148.373
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.001
local terms energy: -79.249930
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.299
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -208.499972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.499972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.499972 (E_RNA)
where:
Base-Base interactions energy: -139.863
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.025
local terms energy: -68.612764
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -18.962
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: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -154.657244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.657244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.657244 (E_RNA)
where:
Base-Base interactions energy: -98.486
where: short stacking energy: -40.444
Base-Backbone interact. energy: -0.132
local terms energy: -56.038894
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -134.807781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.807781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.807781 (E_RNA)
where:
Base-Base interactions energy: -84.785
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.266
local terms energy: -49.756437
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -91.146778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.146778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.146778 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -31.027
Base-Backbone interact. energy: -0.197
local terms energy: -59.922260
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -102.625810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625810 (E_RNA)
where:
Base-Base interactions energy: -46.118
where: short stacking energy: -20.619
Base-Backbone interact. energy: -0.020
local terms energy: -56.487494
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -7.705
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: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -237.224879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.224879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.224879 (E_RNA)
where:
Base-Base interactions energy: -159.607
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.002
local terms energy: -77.615955
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -13.046
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -235.724530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.724530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.724530 (E_RNA)
where:
Base-Base interactions energy: -156.947
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.002
local terms energy: -78.775498
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -227.849623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.849623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.849623 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.131
local terms energy: -75.333917
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -18.977
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -218.207071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.207071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.207071 (E_RNA)
where:
Base-Base interactions energy: -149.045
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.109
local terms energy: -69.052339
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -220.307794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.307794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.307794 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.214
local terms energy: -71.238030
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -14.943
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -217.853009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.853009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.853009 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.043
local terms energy: -75.719290
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -147.121565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.121565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.121565 (E_RNA)
where:
Base-Base interactions energy: -88.425
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.192
local terms energy: -58.504799
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -87.455255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.455255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.455255 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -38.969
Base-Backbone interact. energy: 2.830
local terms energy: -51.316035
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -127.823532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.823532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.823532 (E_RNA)
where:
Base-Base interactions energy: -69.639
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.559
local terms energy: -57.625519
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -77.473719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.473719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.473719 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.077
local terms energy: -44.027946
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: 2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -238.139021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.139021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.139021 (E_RNA)
where:
Base-Base interactions energy: -162.918
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.072
local terms energy: -75.149520
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -236.432278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.432278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.432278 (E_RNA)
where:
Base-Base interactions energy: -159.194
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.091
local terms energy: -77.146780
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -20.779
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: 238
Temperature: 1.000000
Total energy: -231.934810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.934810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.934810 (E_RNA)
where:
Base-Base interactions energy: -152.275
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.005
local terms energy: -79.654954
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.578
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: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -220.955926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.955926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.955926 (E_RNA)
where:
Base-Base interactions energy: -155.919
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.014
local terms energy: -65.022317
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -18.310
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: 238
Temperature: 1.100000
Total energy: -224.282661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.282661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282661 (E_RNA)
where:
Base-Base interactions energy: -152.443
where: short stacking energy: -59.130
Base-Backbone interact. energy: 0.644
local terms energy: -72.484242
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -21.159
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -207.017523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017523 (E_RNA)
where:
Base-Base interactions energy: -143.516
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.166
local terms energy: -63.335318
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -144.145306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.145306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.145306 (E_RNA)
where:
Base-Base interactions energy: -83.304
where: short stacking energy: -40.606
Base-Backbone interact. energy: -0.805
local terms energy: -60.036240
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -8.713
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -88.750008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750008 (E_RNA)
where:
Base-Base interactions energy: -38.777
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.445
local terms energy: -49.527901
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -83.167671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167671 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -23.287
Base-Backbone interact. energy: -0.041
local terms energy: -48.564994
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -113.773786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.773786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.773786 (E_RNA)
where:
Base-Base interactions energy: -64.952
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.241
local terms energy: -48.581291
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: 0.104
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: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -238.954746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.954746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.954746 (E_RNA)
where:
Base-Base interactions energy: -163.217
where: short stacking energy: -74.716
Base-Backbone interact. energy: 0.458
local terms energy: -76.195231
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -21.426
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: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -235.905423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.905423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.905423 (E_RNA)
where:
Base-Base interactions energy: -157.785
where: short stacking energy: -65.019
Base-Backbone interact. energy: 0.698
local terms energy: -78.817886
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -226.185370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.185370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.185370 (E_RNA)
where:
Base-Base interactions energy: -153.777
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.099
local terms energy: -72.309296
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -224.998506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.998506 (E_RNA)
where:
Base-Base interactions energy: -149.567
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.004
local terms energy: -75.427518
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -224.022237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.022237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.022237 (E_RNA)
where:
Base-Base interactions energy: -150.701
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.097
local terms energy: -73.223691
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -17.980
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: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -200.750992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.750992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.750992 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.031
local terms energy: -67.499878
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -179.076810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076810 (E_RNA)
where:
Base-Base interactions energy: -116.678
where: short stacking energy: -47.822
Base-Backbone interact. energy: 0.973
local terms energy: -63.371450
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -11.819
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -81.358656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358656 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.076
local terms energy: -48.771410
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -82.015073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015073 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -18.575
Base-Backbone interact. energy: -0.076
local terms energy: -52.850027
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.758289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.758289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.758289 (E_RNA)
where:
Base-Base interactions energy: -28.490
where: short stacking energy: -27.688
Base-Backbone interact. energy: 0.125
local terms energy: -47.393644
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: 2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -236.780411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.780411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.780411 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.000
local terms energy: -79.628862
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -235.385652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.385652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.385652 (E_RNA)
where:
Base-Base interactions energy: -154.823
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.001
local terms energy: -80.561976
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -19.038
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -231.878351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.878351 (E_RNA)
where:
Base-Base interactions energy: -156.582
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.000
local terms energy: -75.296244
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -20.547
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -216.495973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.495973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.495973 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.078
local terms energy: -75.811570
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -221.275514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.275514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275514 (E_RNA)
where:
Base-Base interactions energy: -150.176
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.006
local terms energy: -71.093343
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -159.075876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.075876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.075876 (E_RNA)
where:
Base-Base interactions energy: -96.602
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.492
local terms energy: -61.981760
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -11.407
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: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -139.729657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.729657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.729657 (E_RNA)
where:
Base-Base interactions energy: -86.178
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.368
local terms energy: -53.184389
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -89.155236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155236 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -28.097
Base-Backbone interact. energy: -0.146
local terms energy: -46.494502
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -0.302
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: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -83.645974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645974 (E_RNA)
where:
Base-Base interactions energy: -41.742
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.406
local terms energy: -41.498241
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -74.998577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.998577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.998577 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.098
local terms energy: -49.579636
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -231.642358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.642358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.642358 (E_RNA)
where:
Base-Base interactions energy: -155.111
where: short stacking energy: -65.672
Base-Backbone interact. energy: 0.074
local terms energy: -76.605079
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -17.602
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: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -236.522685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.522685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.522685 (E_RNA)
where:
Base-Base interactions energy: -157.738
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.010
local terms energy: -78.775095
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -229.663605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.663605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.663605 (E_RNA)
where:
Base-Base interactions energy: -158.086
where: short stacking energy: -65.417
Base-Backbone interact. energy: -0.001
local terms energy: -71.576886
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -223.048690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.048690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.048690 (E_RNA)
where:
Base-Base interactions energy: -143.371
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.103
local terms energy: -79.574432
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -224.926242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.926242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.926242 (E_RNA)
where:
Base-Base interactions energy: -148.288
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.002
local terms energy: -76.636283
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.483
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -155.119556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.119556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.119556 (E_RNA)
where:
Base-Base interactions energy: -94.827
where: short stacking energy: -41.901
Base-Backbone interact. energy: 0.184
local terms energy: -60.476360
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -9.302
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: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -156.507049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.507049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.507049 (E_RNA)
where:
Base-Base interactions energy: -92.073
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.125
local terms energy: -64.308763
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -11.133
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: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -105.710137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.710137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.710137 (E_RNA)
where:
Base-Base interactions energy: -46.938
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.110
local terms energy: -58.661589
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -83.224810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.224810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.224810 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -18.693
Base-Backbone interact. energy: -0.025
local terms energy: -47.752432
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -75.128129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.128129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.128129 (E_RNA)
where:
Base-Base interactions energy: -23.678
where: short stacking energy: -23.678
Base-Backbone interact. energy: -0.119
local terms energy: -51.331723
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -235.683063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.683063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.683063 (E_RNA)
where:
Base-Base interactions energy: -156.183
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.282
local terms energy: -79.218350
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -236.503397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.503397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.503397 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.102
local terms energy: -78.495618
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -223.402660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.402660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.402660 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.014
local terms energy: -72.683765
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -221.692477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692477 (E_RNA)
where:
Base-Base interactions energy: -147.870
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.004
local terms energy: -73.818239
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -223.839012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.839012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.839012 (E_RNA)
where:
Base-Base interactions energy: -149.755
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.005
local terms energy: -74.078865
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -177.684320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.684320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.684320 (E_RNA)
where:
Base-Base interactions energy: -108.868
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.440
local terms energy: -68.376215
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -14.047
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -145.865133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.865133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.865133 (E_RNA)
where:
Base-Base interactions energy: -90.839
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.235
local terms energy: -54.791637
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -7.598
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -114.045516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.045516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.045516 (E_RNA)
where:
Base-Base interactions energy: -57.812
where: short stacking energy: -31.795
Base-Backbone interact. energy: -0.093
local terms energy: -56.140028
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -3.268
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: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -74.284252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.284252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.284252 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.172
local terms energy: -41.864330
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -82.289472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289472 (E_RNA)
where:
Base-Base interactions energy: -34.144
where: short stacking energy: -22.045
Base-Backbone interact. energy: -0.463
local terms energy: -47.683000
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -241.448023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.448023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.448023 (E_RNA)
where:
Base-Base interactions energy: -165.375
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.011
local terms energy: -76.061910
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -20.717
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: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -232.836979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.836979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.836979 (E_RNA)
where:
Base-Base interactions energy: -154.134
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.887
local terms energy: -77.816050
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -230.822088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.822088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.822088 (E_RNA)
where:
Base-Base interactions energy: -156.253
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.003
local terms energy: -74.565927
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -228.121623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.121623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.121623 (E_RNA)
where:
Base-Base interactions energy: -151.249
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.016
local terms energy: -76.856352
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.149
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: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -228.399006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.399006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.399006 (E_RNA)
where:
Base-Base interactions energy: -152.205
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.001
local terms energy: -76.192828
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -168.921130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.921130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.921130 (E_RNA)
where:
Base-Base interactions energy: -102.506
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.015
local terms energy: -66.399466
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -12.305
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -148.566130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.566130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.566130 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -44.732
Base-Backbone interact. energy: -0.027
local terms energy: -61.426818
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -8.345
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: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -89.757511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.757511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.757511 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -28.653
Base-Backbone interact. energy: 0.030
local terms energy: -48.932777
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -99.729825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729825 (E_RNA)
where:
Base-Base interactions energy: -66.240
where: short stacking energy: -29.834
Base-Backbone interact. energy: 1.317
local terms energy: -34.806906
where:
bonds (distance) C4'-P energy: -4.949
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -3.566
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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -71.974922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.974922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.974922 (E_RNA)
where:
Base-Base interactions energy: -21.694
where: short stacking energy: -19.154
Base-Backbone interact. energy: -0.216
local terms energy: -50.065123
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -232.653052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.653052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.653052 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.610
local terms energy: -80.665232
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -18.839
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -236.303153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.303153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.303153 (E_RNA)
where:
Base-Base interactions energy: -156.733
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.388
local terms energy: -79.182281
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -225.158631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.158631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.158631 (E_RNA)
where:
Base-Base interactions energy: -146.011
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.015
local terms energy: -79.132581
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -19.247
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: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -227.110037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.110037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.110037 (E_RNA)
where:
Base-Base interactions energy: -155.066
where: short stacking energy: -69.257
Base-Backbone interact. energy: 0.259
local terms energy: -72.302455
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -224.864917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.864917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.864917 (E_RNA)
where:
Base-Base interactions energy: -152.121
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.001
local terms energy: -72.742461
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -21.084
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: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -168.536864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.536864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.536864 (E_RNA)
where:
Base-Base interactions energy: -100.779
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.037
local terms energy: -67.720851
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -146.449573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.449573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.449573 (E_RNA)
where:
Base-Base interactions energy: -89.924
where: short stacking energy: -40.601
Base-Backbone interact. energy: 0.515
local terms energy: -57.041326
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -81.908246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908246 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -23.438
Base-Backbone interact. energy: 0.640
local terms energy: -48.950419
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -73.631247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.631247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.631247 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -22.837
Base-Backbone interact. energy: -0.115
local terms energy: -46.890142
where:
bonds (distance) C4'-P energy: -8.383
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.729
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: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -78.136775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136775 (E_RNA)
where:
Base-Base interactions energy: -33.176
where: short stacking energy: -25.974
Base-Backbone interact. energy: 0.041
local terms energy: -45.002164
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -239.424020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.424020 (E_RNA)
where:
Base-Base interactions energy: -161.577
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.061
local terms energy: -77.785772
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -229.890601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.890601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890601 (E_RNA)
where:
Base-Base interactions energy: -151.117
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.001
local terms energy: -78.772071
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -241.367504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.367504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.367504 (E_RNA)
where:
Base-Base interactions energy: -170.957
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.708
local terms energy: -69.702351
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -231.079637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.079637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.079637 (E_RNA)
where:
Base-Base interactions energy: -151.870
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.319
local terms energy: -78.890996
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -224.664461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.664461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.664461 (E_RNA)
where:
Base-Base interactions energy: -145.538
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.243
local terms energy: -78.883020
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -20.751
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -171.922251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.922251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.922251 (E_RNA)
where:
Base-Base interactions energy: -100.753
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.436
local terms energy: -70.732877
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -14.264
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: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -153.912667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.912667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.912667 (E_RNA)
where:
Base-Base interactions energy: -94.940
where: short stacking energy: -44.843
Base-Backbone interact. energy: -0.090
local terms energy: -58.882313
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -89.944783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.944783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.944783 (E_RNA)
where:
Base-Base interactions energy: -35.854
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.165
local terms energy: -53.925716
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -80.669891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.669891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.669891 (E_RNA)
where:
Base-Base interactions energy: -25.948
where: short stacking energy: -25.948
Base-Backbone interact. energy: 0.227
local terms energy: -54.948581
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -3.808
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: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -74.475585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.475585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.475585 (E_RNA)
where:
Base-Base interactions energy: -28.280
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.177
local terms energy: -46.019021
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -237.475237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.475237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.475237 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.002
local terms energy: -71.233270
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -229.986899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.986899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.986899 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.174
local terms energy: -70.490032
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -227.745734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.745734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.745734 (E_RNA)
where:
Base-Base interactions energy: -158.416
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.012
local terms energy: -69.317632
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.200
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: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -227.022687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.022687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.022687 (E_RNA)
where:
Base-Base interactions energy: -156.787
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.001
local terms energy: -70.234916
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -219.243230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.243230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.243230 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.267
local terms energy: -66.648654
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.162
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: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -163.194772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.194772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.194772 (E_RNA)
where:
Base-Base interactions energy: -98.396
where: short stacking energy: -45.959
Base-Backbone interact. energy: 0.501
local terms energy: -65.299758
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -168.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.608144 (E_RNA)
where:
Base-Base interactions energy: -97.945
where: short stacking energy: -49.536
Base-Backbone interact. energy: -0.173
local terms energy: -70.490501
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -83.409769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.409769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.409769 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -28.957
Base-Backbone interact. energy: -1.123
local terms energy: -39.617517
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -79.156677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.156677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.156677 (E_RNA)
where:
Base-Base interactions energy: -26.471
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.082
local terms energy: -52.603910
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: 0.367
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -80.452862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.452862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.452862 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.049
local terms energy: -45.125152
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -241.214786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.214786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.214786 (E_RNA)
where:
Base-Base interactions energy: -159.462
where: short stacking energy: -73.678
Base-Backbone interact. energy: -0.098
local terms energy: -81.655528
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -230.670628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.670628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.670628 (E_RNA)
where:
Base-Base interactions energy: -157.727
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.003
local terms energy: -72.940379
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -225.035552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.035552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.035552 (E_RNA)
where:
Base-Base interactions energy: -149.432
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.741
local terms energy: -74.862747
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -13.342
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: 247
Temperature: 1.050000
Total energy: -227.675001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.675001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.675001 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.025
local terms energy: -75.822112
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -13.914
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: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -218.423600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423600 (E_RNA)
where:
Base-Base interactions energy: -149.644
where: short stacking energy: -63.705
Base-Backbone interact. energy: -0.257
local terms energy: -68.522408
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -169.534254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.534254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.534254 (E_RNA)
where:
Base-Base interactions energy: -104.322
where: short stacking energy: -42.954
Base-Backbone interact. energy: -0.659
local terms energy: -64.552301
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -159.848823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.848823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.848823 (E_RNA)
where:
Base-Base interactions energy: -104.376
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.182
local terms energy: -55.290987
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -84.786620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786620 (E_RNA)
where:
Base-Base interactions energy: -27.380
where: short stacking energy: -27.380
Base-Backbone interact. energy: -0.017
local terms energy: -57.389806
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -75.987205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.987205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.987205 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.627
local terms energy: -41.805183
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -0.808
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: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -81.858397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.858397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.858397 (E_RNA)
where:
Base-Base interactions energy: -30.087
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.202
local terms energy: -51.569813
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -5.910
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: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -240.589222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.589222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.589222 (E_RNA)
where:
Base-Base interactions energy: -161.433
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.108
local terms energy: -79.048545
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -22.794
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: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -238.515008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.515008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.515008 (E_RNA)
where:
Base-Base interactions energy: -158.955
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.029
local terms energy: -79.530916
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -19.855
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -220.781696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.781696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.781696 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.006
local terms energy: -79.823405
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -230.483810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.483810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.483810 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.174
local terms energy: -74.379340
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -236.045965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.045965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.045965 (E_RNA)
where:
Base-Base interactions energy: -162.668
where: short stacking energy: -69.965
Base-Backbone interact. energy: -0.021
local terms energy: -73.356722
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -211.084637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.084637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.084637 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -54.867
Base-Backbone interact. energy: -0.004
local terms energy: -67.555732
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -158.151393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.151393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.151393 (E_RNA)
where:
Base-Base interactions energy: -100.727
where: short stacking energy: -45.010
Base-Backbone interact. energy: -0.091
local terms energy: -57.334294
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -91.908757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.908757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.908757 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.011
local terms energy: -54.838398
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -71.157540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.157540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.157540 (E_RNA)
where:
Base-Base interactions energy: -22.670
where: short stacking energy: -22.670
Base-Backbone interact. energy: 0.247
local terms energy: -48.734601
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -69.767540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.767540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.767540 (E_RNA)
where:
Base-Base interactions energy: -19.093
where: short stacking energy: -15.186
Base-Backbone interact. energy: -0.438
local terms energy: -50.236611
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -235.101214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.101214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.101214 (E_RNA)
where:
Base-Base interactions energy: -157.677
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.284
local terms energy: -77.139862
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -238.344370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.344370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.344370 (E_RNA)
where:
Base-Base interactions energy: -159.883
where: short stacking energy: -72.331
Base-Backbone interact. energy: 0.662
local terms energy: -79.123622
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -19.907
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: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -241.176558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.176558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.176558 (E_RNA)
where:
Base-Base interactions energy: -158.853
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.023
local terms energy: -82.300878
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -225.803606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803606 (E_RNA)
where:
Base-Base interactions energy: -153.094
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.128
local terms energy: -72.581884
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -21.624
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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -224.167620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167620 (E_RNA)
where:
Base-Base interactions energy: -154.555
where: short stacking energy: -62.702
Base-Backbone interact. energy: 0.743
local terms energy: -70.356434
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -17.841
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: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -212.134190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.134190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.134190 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.138
local terms energy: -65.904697
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -158.314455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.314455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.314455 (E_RNA)
where:
Base-Base interactions energy: -93.185
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.173
local terms energy: -64.956639
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -16.124
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: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -78.534422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.534422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.534422 (E_RNA)
where:
Base-Base interactions energy: -26.682
where: short stacking energy: -23.959
Base-Backbone interact. energy: -0.167
local terms energy: -51.685726
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -84.349083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349083 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.102
local terms energy: -59.562309
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -73.074626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.074626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.074626 (E_RNA)
where:
Base-Base interactions energy: -24.188
where: short stacking energy: -24.102
Base-Backbone interact. energy: 2.569
local terms energy: -51.455680
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -236.052582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.052582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.052582 (E_RNA)
where:
Base-Base interactions energy: -158.665
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.008
local terms energy: -77.379590
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -230.216778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.216778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.216778 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.005
local terms energy: -78.036548
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -226.641468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.641468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.641468 (E_RNA)
where:
Base-Base interactions energy: -153.013
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.053
local terms energy: -73.576211
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.319
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: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -226.325651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.325651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.325651 (E_RNA)
where:
Base-Base interactions energy: -152.463
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.306
local terms energy: -73.556348
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -18.664
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -223.483619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483619 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.126
local terms energy: -72.875596
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -19.631
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: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -214.159189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.159189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.159189 (E_RNA)
where:
Base-Base interactions energy: -143.740
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.002
local terms energy: -70.417532
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -19.668
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: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -146.258562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.258562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.258562 (E_RNA)
where:
Base-Base interactions energy: -86.617
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.246
local terms energy: -59.395154
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -11.319
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -83.710343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.710343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.710343 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -29.814
Base-Backbone interact. energy: -0.070
local terms energy: -53.826407
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -7.021
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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -80.736265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.736265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.736265 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.185
local terms energy: -46.901437
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -0.681
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -88.813075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813075 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.130
local terms energy: -53.420921
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -242.384742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.384742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384742 (E_RNA)
where:
Base-Base interactions energy: -163.660
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.055
local terms energy: -78.670050
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -21.749
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: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -229.278904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.278904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.278904 (E_RNA)
where:
Base-Base interactions energy: -147.362
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.002
local terms energy: -81.915557
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.885
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -233.992041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.992041 (E_RNA)
where:
Base-Base interactions energy: -161.146
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.004
local terms energy: -72.841222
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -227.867793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.867793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.867793 (E_RNA)
where:
Base-Base interactions energy: -155.503
where: short stacking energy: -71.393
Base-Backbone interact. energy: -0.002
local terms energy: -72.363296
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.960
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: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -224.450090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.450090 (E_RNA)
where:
Base-Base interactions energy: -150.142
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.078
local terms energy: -74.229146
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -218.126629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126629 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -67.097
Base-Backbone interact. energy: -0.016
local terms energy: -66.864097
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -149.236044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.236044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.236044 (E_RNA)
where:
Base-Base interactions energy: -93.672
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.084
local terms energy: -55.479575
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -87.308237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.308237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.308237 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.181
local terms energy: -53.906610
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -92.354611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.354611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.354611 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.103
local terms energy: -57.100637
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -78.311306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.311306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.311306 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -27.200
Base-Backbone interact. energy: 0.237
local terms energy: -40.941029
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.735
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -240.696183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.696183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.696183 (E_RNA)
where:
Base-Base interactions energy: -159.269
where: short stacking energy: -59.822
Base-Backbone interact. energy: 0.646
local terms energy: -82.072331
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -21.245
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: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -228.492046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.492046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.492046 (E_RNA)
where:
Base-Base interactions energy: -153.732
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.029
local terms energy: -74.730621
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -225.784098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.784098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.784098 (E_RNA)
where:
Base-Base interactions energy: -151.754
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.010
local terms energy: -74.020331
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.082
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: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -226.485097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.485097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.485097 (E_RNA)
where:
Base-Base interactions energy: -152.646
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.032
local terms energy: -73.807095
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -17.353
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: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -222.075498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.075498 (E_RNA)
where:
Base-Base interactions energy: -153.378
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.266
local terms energy: -68.431673
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -218.731266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731266 (E_RNA)
where:
Base-Base interactions energy: -150.811
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.295
local terms energy: -67.625763
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -15.448
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: 252
Temperature: 1.200000
Total energy: -100.373775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.373775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.373775 (E_RNA)
where:
Base-Base interactions energy: -48.126
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.192
local terms energy: -52.056382
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -9.291
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: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -154.499753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.499753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.499753 (E_RNA)
where:
Base-Base interactions energy: -91.809
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.366
local terms energy: -62.324428
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -11.191
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: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -94.663007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.663007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.663007 (E_RNA)
where:
Base-Base interactions energy: -45.453
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.133
local terms energy: -49.077170
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -78.767112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.767112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.767112 (E_RNA)
where:
Base-Base interactions energy: -37.617
where: short stacking energy: -32.045
Base-Backbone interact. energy: 0.290
local terms energy: -41.439841
where:
bonds (distance) C4'-P energy: -7.568
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -1.201
tors. eta vs tors. theta energy: -6.745
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: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -235.983040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.983040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.983040 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.281
local terms energy: -78.458492
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -225.205784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.205784 (E_RNA)
where:
Base-Base interactions energy: -160.292
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.101
local terms energy: -64.812890
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -232.601459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.601459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.601459 (E_RNA)
where:
Base-Base interactions energy: -153.755
where: short stacking energy: -68.980
Base-Backbone interact. energy: -0.041
local terms energy: -78.805180
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -12.883
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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -225.871455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871455 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -65.762
Base-Backbone interact. energy: -0.024
local terms energy: -79.481957
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -223.460194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.460194 (E_RNA)
where:
Base-Base interactions energy: -146.459
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.015
local terms energy: -76.985883
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -222.942269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.942269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.942269 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.006
local terms energy: -72.583796
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -88.347991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347991 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -33.515
Base-Backbone interact. energy: -0.076
local terms energy: -54.756728
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -151.120694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.120694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.120694 (E_RNA)
where:
Base-Base interactions energy: -100.765
where: short stacking energy: -45.140
Base-Backbone interact. energy: 0.672
local terms energy: -51.027799
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -3.179
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: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -84.419549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.419549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.419549 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.025
local terms energy: -44.742653
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -73.069841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.069841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.069841 (E_RNA)
where:
Base-Base interactions energy: -15.941
where: short stacking energy: -12.219
Base-Backbone interact. energy: -0.249
local terms energy: -56.879277
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -235.013117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.013117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.013117 (E_RNA)
where:
Base-Base interactions energy: -159.250
where: short stacking energy: -73.216
Base-Backbone interact. energy: -0.002
local terms energy: -75.761345
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -233.638301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638301 (E_RNA)
where:
Base-Base interactions energy: -155.105
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.025
local terms energy: -78.508286
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -233.549841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.549841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.549841 (E_RNA)
where:
Base-Base interactions energy: -151.282
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.254
local terms energy: -82.013799
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -12.437
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: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -224.605128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.605128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.605128 (E_RNA)
where:
Base-Base interactions energy: -148.842
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.002
local terms energy: -75.760664
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -214.528105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.528105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.528105 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.058
local terms energy: -63.002694
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -15.407
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: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -219.790309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.790309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.790309 (E_RNA)
where:
Base-Base interactions energy: -149.944
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.049
local terms energy: -69.797444
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -19.583
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -163.031962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.031962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.031962 (E_RNA)
where:
Base-Base interactions energy: -91.755
where: short stacking energy: -45.739
Base-Backbone interact. energy: -0.003
local terms energy: -71.274049
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -93.833018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833018 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -34.179
Base-Backbone interact. energy: -0.235
local terms energy: -55.009449
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -82.032433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.032433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.032433 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -20.125
Base-Backbone interact. energy: 0.843
local terms energy: -54.866850
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -1.578
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -77.007529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.007529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.007529 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.332
local terms energy: -48.455356
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -239.534512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.534512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.534512 (E_RNA)
where:
Base-Base interactions energy: -163.642
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.015
local terms energy: -75.877384
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -17.463
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -240.900392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.900392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.900392 (E_RNA)
where:
Base-Base interactions energy: -161.268
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.001
local terms energy: -79.631675
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -236.789677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789677 (E_RNA)
where:
Base-Base interactions energy: -161.021
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.103
local terms energy: -75.665296
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -227.812331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.812331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.812331 (E_RNA)
where:
Base-Base interactions energy: -149.560
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.010
local terms energy: -78.242394
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -19.092
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -216.832847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.832847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.832847 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.102
local terms energy: -74.416312
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -17.897
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -218.616592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.616592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.616592 (E_RNA)
where:
Base-Base interactions energy: -139.913
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.057
local terms energy: -78.646218
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -157.534001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.534001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.534001 (E_RNA)
where:
Base-Base interactions energy: -94.293
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.093
local terms energy: -63.147618
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.757
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: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -147.035769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.035769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.035769 (E_RNA)
where:
Base-Base interactions energy: -83.988
where: short stacking energy: -43.475
Base-Backbone interact. energy: 0.252
local terms energy: -63.300207
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -80.454236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.454236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.454236 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.296
local terms energy: -52.227003
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -77.425782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.425782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.425782 (E_RNA)
where:
Base-Base interactions energy: -22.584
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.137
local terms energy: -54.704279
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -243.746015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.746015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.746015 (E_RNA)
where:
Base-Base interactions energy: -163.308
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.093
local terms energy: -80.344664
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -229.962925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.962925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.962925 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -70.493
Base-Backbone interact. energy: -0.131
local terms energy: -72.164798
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -228.802107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.802107 (E_RNA)
where:
Base-Base interactions energy: -153.706
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.640
local terms energy: -74.455937
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.342
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: 256
Temperature: 1.050000
Total energy: -219.473960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.473960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.473960 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -63.420
Base-Backbone interact. energy: 0.473
local terms energy: -71.085140
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -220.065121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065121 (E_RNA)
where:
Base-Base interactions energy: -144.554
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.007
local terms energy: -75.504505
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -170.172959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172959 (E_RNA)
where:
Base-Base interactions energy: -104.974
where: short stacking energy: -59.411
Base-Backbone interact. energy: 0.159
local terms energy: -65.358194
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -15.388
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -181.865539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.865539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.865539 (E_RNA)
where:
Base-Base interactions energy: -115.602
where: short stacking energy: -51.309
Base-Backbone interact. energy: 0.524
local terms energy: -66.787577
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -11.850
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: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -135.715680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.715680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.715680 (E_RNA)
where:
Base-Base interactions energy: -81.774
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.066
local terms energy: -53.874883
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -102.792568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.792568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.792568 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.012
local terms energy: -63.544736
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -81.496198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496198 (E_RNA)
where:
Base-Base interactions energy: -30.714
where: short stacking energy: -21.308
Base-Backbone interact. energy: 0.256
local terms energy: -51.038017
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: 0.095
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: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -234.700928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.700928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.700928 (E_RNA)
where:
Base-Base interactions energy: -151.825
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.010
local terms energy: -82.866424
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -231.831168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.831168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.831168 (E_RNA)
where:
Base-Base interactions energy: -154.521
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.122
local terms energy: -77.188117
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -234.211328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.211328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.211328 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.049
local terms energy: -81.929228
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -217.115104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.115104 (E_RNA)
where:
Base-Base interactions energy: -143.874
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.095
local terms energy: -73.145870
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -219.775435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.775435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.775435 (E_RNA)
where:
Base-Base interactions energy: -146.516
where: short stacking energy: -64.827
Base-Backbone interact. energy: 0.529
local terms energy: -73.787907
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -170.423945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.423945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.423945 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -43.799
Base-Backbone interact. energy: -0.196
local terms energy: -63.480361
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -134.544165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.544165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.544165 (E_RNA)
where:
Base-Base interactions energy: -85.777
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.049
local terms energy: -48.718782
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -149.650991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.650991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.650991 (E_RNA)
where:
Base-Base interactions energy: -80.737
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.285
local terms energy: -68.629297
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -85.403855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403855 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -27.853
Base-Backbone interact. energy: -0.097
local terms energy: -57.454400
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -73.090476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.090476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.090476 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.212
local terms energy: -39.482839
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -241.733356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.733356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.733356 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -71.368
Base-Backbone interact. energy: 0.388
local terms energy: -78.989083
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -18.081
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -237.192992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.192992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.192992 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.003
local terms energy: -83.726813
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -221.014300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014300 (E_RNA)
where:
Base-Base interactions energy: -145.854
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.101
local terms energy: -75.059406
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -223.922984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.922984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.922984 (E_RNA)
where:
Base-Base interactions energy: -147.246
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.322
local terms energy: -76.354581
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -219.015370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.015370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.015370 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -57.061
Base-Backbone interact. energy: -0.012
local terms energy: -66.221655
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -14.531
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: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -184.114538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.114538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.114538 (E_RNA)
where:
Base-Base interactions energy: -124.678
where: short stacking energy: -55.474
Base-Backbone interact. energy: -1.113
local terms energy: -58.323726
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -150.377891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.377891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.377891 (E_RNA)
where:
Base-Base interactions energy: -84.243
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.391
local terms energy: -65.743707
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -148.517985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.517985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.517985 (E_RNA)
where:
Base-Base interactions energy: -104.299
where: short stacking energy: -46.440
Base-Backbone interact. energy: -0.216
local terms energy: -44.002882
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -79.801620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801620 (E_RNA)
where:
Base-Base interactions energy: -41.121
where: short stacking energy: -20.799
Base-Backbone interact. energy: -0.423
local terms energy: -38.257605
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: 2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -70.068265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.068265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.068265 (E_RNA)
where:
Base-Base interactions energy: -17.285
where: short stacking energy: -17.285
Base-Backbone interact. energy: -0.133
local terms energy: -52.649769
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -233.857716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.857716 (E_RNA)
where:
Base-Base interactions energy: -158.400
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.294
local terms energy: -75.163676
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -229.990912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.990912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.990912 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -67.561
Base-Backbone interact. energy: -0.127
local terms energy: -77.376951
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -9.701
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: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -226.003120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.003120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003120 (E_RNA)
where:
Base-Base interactions energy: -154.898
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.035
local terms energy: -71.069980
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.173
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -227.465384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.465384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.465384 (E_RNA)
where:
Base-Base interactions energy: -154.952
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.080
local terms energy: -72.433970
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -22.614
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: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -219.948255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.948255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.948255 (E_RNA)
where:
Base-Base interactions energy: -146.474
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.022
local terms energy: -73.451940
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -186.869993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.869993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.869993 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -53.871
Base-Backbone interact. energy: -0.082
local terms energy: -64.745472
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -155.059727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.059727 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -41.584
Base-Backbone interact. energy: -0.039
local terms energy: -62.799427
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -133.724230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.724230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.724230 (E_RNA)
where:
Base-Base interactions energy: -79.125
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.071
local terms energy: -54.527729
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -102.895133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.895133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.895133 (E_RNA)
where:
Base-Base interactions energy: -51.965
where: short stacking energy: -31.801
Base-Backbone interact. energy: -0.269
local terms energy: -50.660915
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -70.974349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.974349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.974349 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -23.130
Base-Backbone interact. energy: -0.269
local terms energy: -43.700731
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -4.218
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: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -233.890516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.890516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.890516 (E_RNA)
where:
Base-Base interactions energy: -152.953
where: short stacking energy: -67.834
Base-Backbone interact. energy: -0.020
local terms energy: -80.917996
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -14.918
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -239.404615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.404615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.404615 (E_RNA)
where:
Base-Base interactions energy: -163.000
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.006
local terms energy: -76.398294
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -228.003705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.003705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.003705 (E_RNA)
where:
Base-Base interactions energy: -151.563
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.042
local terms energy: -76.398622
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -220.978131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.978131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.978131 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.797
local terms energy: -71.352871
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -226.986184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986184 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -65.765
Base-Backbone interact. energy: 0.833
local terms energy: -75.409046
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -163.213387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.213387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.213387 (E_RNA)
where:
Base-Base interactions energy: -97.166
where: short stacking energy: -51.267
Base-Backbone interact. energy: -0.118
local terms energy: -65.930019
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -146.135765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135765 (E_RNA)
where:
Base-Base interactions energy: -92.113
where: short stacking energy: -42.805
Base-Backbone interact. energy: -0.222
local terms energy: -53.800804
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -143.471802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.471802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.471802 (E_RNA)
where:
Base-Base interactions energy: -87.482
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.206
local terms energy: -55.783753
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -6.639
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: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.508998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.508998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.508998 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.130
local terms energy: -44.702390
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.021667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021667 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -17.153
Base-Backbone interact. energy: -0.287
local terms energy: -51.607830
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -244.434823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.434823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.434823 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -68.735
Base-Backbone interact. energy: -0.025
local terms energy: -82.101727
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -236.268030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.268030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.268030 (E_RNA)
where:
Base-Base interactions energy: -163.242
where: short stacking energy: -68.522
Base-Backbone interact. energy: 1.331
local terms energy: -74.357155
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -20.601
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -231.301241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301241 (E_RNA)
where:
Base-Base interactions energy: -153.005
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.002
local terms energy: -78.295035
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.728
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -227.857380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.857380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.857380 (E_RNA)
where:
Base-Base interactions energy: -150.365
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.070
local terms energy: -77.422714
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -21.928
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: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -219.858124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.858124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.858124 (E_RNA)
where:
Base-Base interactions energy: -147.120
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.044
local terms energy: -72.694640
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -159.315577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.315577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.315577 (E_RNA)
where:
Base-Base interactions energy: -93.945
where: short stacking energy: -44.884
Base-Backbone interact. energy: -0.112
local terms energy: -65.259152
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -195.894363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.894363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.894363 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.121
local terms energy: -68.971601
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -74.809830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.809830 (E_RNA)
where:
Base-Base interactions energy: -27.990
where: short stacking energy: -23.934
Base-Backbone interact. energy: -0.157
local terms energy: -46.663746
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: 0.290
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: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -133.923785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.923785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.923785 (E_RNA)
where:
Base-Base interactions energy: -82.311
where: short stacking energy: -35.139
Base-Backbone interact. energy: -0.171
local terms energy: -51.440964
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -6.066
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: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -80.046344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.046344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.046344 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -22.615
Base-Backbone interact. energy: -0.378
local terms energy: -46.198536
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -242.249685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.249685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.249685 (E_RNA)
where:
Base-Base interactions energy: -157.596
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.001
local terms energy: -84.651986
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -12.127
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: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -237.225381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.225381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.225381 (E_RNA)
where:
Base-Base interactions energy: -158.853
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.025
local terms energy: -78.346550
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -228.010185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010185 (E_RNA)
where:
Base-Base interactions energy: -156.427
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.003
local terms energy: -71.580440
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -227.311622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311622 (E_RNA)
where:
Base-Base interactions energy: -154.670
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.039
local terms energy: -72.602085
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -217.534268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.534268 (E_RNA)
where:
Base-Base interactions energy: -141.824
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.016
local terms energy: -75.694784
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -166.751695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.751695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.751695 (E_RNA)
where:
Base-Base interactions energy: -99.336
where: short stacking energy: -49.522
Base-Backbone interact. energy: -0.034
local terms energy: -67.381946
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -207.181001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.181001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.181001 (E_RNA)
where:
Base-Base interactions energy: -135.508
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.084
local terms energy: -71.589531
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -87.889454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.889454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.889454 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.101
local terms energy: -51.390767
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -174.262443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.262443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.262443 (E_RNA)
where:
Base-Base interactions energy: -106.711
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.060
local terms energy: -67.491684
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.229336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229336 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.165
local terms energy: -44.946351
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: 2.719
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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -236.745313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.745313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.745313 (E_RNA)
where:
Base-Base interactions energy: -159.174
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.001
local terms energy: -77.570500
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -230.105639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.105639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.105639 (E_RNA)
where:
Base-Base interactions energy: -149.825
where: short stacking energy: -63.045
Base-Backbone interact. energy: 0.250
local terms energy: -80.530502
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -12.333
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: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -232.446008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.446008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.446008 (E_RNA)
where:
Base-Base interactions energy: -155.660
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.073
local terms energy: -76.712482
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -7.172
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: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -219.206727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.206727 (E_RNA)
where:
Base-Base interactions energy: -153.511
where: short stacking energy: -61.603
Base-Backbone interact. energy: 1.956
local terms energy: -67.651250
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -9.891
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: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -214.416028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.416028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.416028 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.058
local terms energy: -70.893134
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -215.602536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.602536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.602536 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -57.606
Base-Backbone interact. energy: 0.426
local terms energy: -76.833142
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -169.023930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.023930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.023930 (E_RNA)
where:
Base-Base interactions energy: -101.771
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.132
local terms energy: -67.120734
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.532
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: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -183.345592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.345592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.345592 (E_RNA)
where:
Base-Base interactions energy: -129.652
where: short stacking energy: -50.832
Base-Backbone interact. energy: -0.099
local terms energy: -53.594923
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -79.685432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685432 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.465
local terms energy: -51.960858
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -4.464
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: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -68.053901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.053901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.053901 (E_RNA)
where:
Base-Base interactions energy: -22.211
where: short stacking energy: -22.211
Base-Backbone interact. energy: -0.135
local terms energy: -45.708070
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -2.800
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: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -238.837360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.837360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.837360 (E_RNA)
where:
Base-Base interactions energy: -172.333
where: short stacking energy: -75.692
Base-Backbone interact. energy: 1.519
local terms energy: -68.023253
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -21.500
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -232.724576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.724576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724576 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.111
local terms energy: -77.683244
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.587
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: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -230.433699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.433699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.433699 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -69.628
Base-Backbone interact. energy: -0.099
local terms energy: -77.586010
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -18.307
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: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -228.503457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503457 (E_RNA)
where:
Base-Base interactions energy: -153.101
where: short stacking energy: -71.222
Base-Backbone interact. energy: -0.016
local terms energy: -75.386239
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -222.609443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609443 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.039
local terms energy: -76.678004
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -201.296585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.296585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.296585 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.467
local terms energy: -67.995299
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -13.666
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: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -202.738453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738453 (E_RNA)
where:
Base-Base interactions energy: -136.216
where: short stacking energy: -57.771
Base-Backbone interact. energy: 0.173
local terms energy: -66.695238
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -15.977
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -158.779072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.779072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.779072 (E_RNA)
where:
Base-Base interactions energy: -96.028
where: short stacking energy: -41.251
Base-Backbone interact. energy: -0.118
local terms energy: -62.633247
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -74.278685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.278685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.278685 (E_RNA)
where:
Base-Base interactions energy: -29.751
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.219
local terms energy: -44.308768
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.695
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.148299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.148299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.148299 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -22.035
Base-Backbone interact. energy: -0.614
local terms energy: -50.772890
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -239.454017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454017 (E_RNA)
where:
Base-Base interactions energy: -162.683
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.012
local terms energy: -76.759297
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -19.491
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: 265
Temperature: 0.950000
Total energy: -232.468602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.468602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.468602 (E_RNA)
where:
Base-Base interactions energy: -159.455
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.003
local terms energy: -73.010779
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -11.585
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -234.615571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615571 (E_RNA)
where:
Base-Base interactions energy: -161.249
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.002
local terms energy: -73.364499
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -21.493
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: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -224.825245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.825245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.825245 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -65.814
Base-Backbone interact. energy: 0.127
local terms energy: -74.597766
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -20.418
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -229.054912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.054912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.054912 (E_RNA)
where:
Base-Base interactions energy: -152.077
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.026
local terms energy: -76.952333
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -208.563817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.563817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.563817 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -49.112
Base-Backbone interact. energy: 0.878
local terms energy: -74.103524
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -192.253234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.253234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.253234 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -56.843
Base-Backbone interact. energy: -0.166
local terms energy: -62.421771
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -142.356694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.356694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.356694 (E_RNA)
where:
Base-Base interactions energy: -91.823
where: short stacking energy: -36.401
Base-Backbone interact. energy: 1.357
local terms energy: -51.889963
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -81.133297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.133297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.133297 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.454
local terms energy: -48.083741
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -8.424
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.892
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: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -81.630259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.630259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.630259 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -23.689
Base-Backbone interact. energy: -0.110
local terms energy: -44.677770
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -8.818
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -242.020804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.020804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.020804 (E_RNA)
where:
Base-Base interactions energy: -171.611
where: short stacking energy: -75.545
Base-Backbone interact. energy: 0.198
local terms energy: -70.606965
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -245.825816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.825816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.825816 (E_RNA)
where:
Base-Base interactions energy: -162.215
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.006
local terms energy: -83.605270
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -229.456496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.456496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.456496 (E_RNA)
where:
Base-Base interactions energy: -149.710
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.000
local terms energy: -79.746523
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -235.128119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128119 (E_RNA)
where:
Base-Base interactions energy: -154.576
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.362
local terms energy: -80.190136
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -219.533317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.533317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.533317 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.144
local terms energy: -70.503296
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -218.416518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.416518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.416518 (E_RNA)
where:
Base-Base interactions energy: -151.717
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.007
local terms energy: -66.692669
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -171.852528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.852528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.852528 (E_RNA)
where:
Base-Base interactions energy: -106.363
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.068
local terms energy: -65.421805
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -167.595265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.595265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.595265 (E_RNA)
where:
Base-Base interactions energy: -99.432
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.147
local terms energy: -68.015913
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -12.726
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -81.552263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.552263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.552263 (E_RNA)
where:
Base-Base interactions energy: -31.296
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.162
local terms energy: -50.095067
where:
bonds (distance) C4'-P energy: -5.616
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -8.717
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: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -86.022346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022346 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.272
local terms energy: -53.590325
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -234.838688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.838688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.838688 (E_RNA)
where:
Base-Base interactions energy: -161.010
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.034
local terms energy: -73.794572
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -16.912
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: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -230.987626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.987626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.987626 (E_RNA)
where:
Base-Base interactions energy: -158.613
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.008
local terms energy: -72.366530
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -227.681051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.681051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.681051 (E_RNA)
where:
Base-Base interactions energy: -147.517
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.022
local terms energy: -80.142236
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -18.479
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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -222.876756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.876756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.876756 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.003
local terms energy: -68.990235
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -18.345
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: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -216.564088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.564088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.564088 (E_RNA)
where:
Base-Base interactions energy: -142.199
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.005
local terms energy: -74.359800
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.081
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: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -215.239108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.239108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.239108 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.063
local terms energy: -70.564597
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.763
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: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -172.575161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.575161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.575161 (E_RNA)
where:
Base-Base interactions energy: -112.356
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.081
local terms energy: -60.138084
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -151.344019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.344019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.344019 (E_RNA)
where:
Base-Base interactions energy: -94.103
where: short stacking energy: -35.512
Base-Backbone interact. energy: -1.530
local terms energy: -55.710524
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -6.315
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: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -94.213761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213761 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -33.068
Base-Backbone interact. energy: 1.248
local terms energy: -53.039131
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -79.805844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.805844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.805844 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -29.694
Base-Backbone interact. energy: -0.097
local terms energy: -49.635991
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.553
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: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -236.986387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.986387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.986387 (E_RNA)
where:
Base-Base interactions energy: -161.460
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.049
local terms energy: -75.477418
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -18.393
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: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -224.744940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.744940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.744940 (E_RNA)
where:
Base-Base interactions energy: -145.797
where: short stacking energy: -59.613
Base-Backbone interact. energy: 1.558
local terms energy: -80.505473
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -223.797310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.797310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.797310 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.221
local terms energy: -72.106742
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -228.027827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.027827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.027827 (E_RNA)
where:
Base-Base interactions energy: -149.468
where: short stacking energy: -65.049
Base-Backbone interact. energy: -0.011
local terms energy: -78.548495
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -230.141581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.141581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.141581 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.340
local terms energy: -77.918249
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -212.397332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.397332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.397332 (E_RNA)
where:
Base-Base interactions energy: -141.857
where: short stacking energy: -57.236
Base-Backbone interact. energy: 1.257
local terms energy: -71.797723
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -155.738774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.738774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.738774 (E_RNA)
where:
Base-Base interactions energy: -95.948
where: short stacking energy: -43.145
Base-Backbone interact. energy: -0.100
local terms energy: -59.690901
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.758
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: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -142.828977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.828977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.828977 (E_RNA)
where:
Base-Base interactions energy: -94.289
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.083
local terms energy: -48.457299
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -83.002956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.002956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.002956 (E_RNA)
where:
Base-Base interactions energy: -37.593
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.736
local terms energy: -44.673818
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -79.384971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384971 (E_RNA)
where:
Base-Base interactions energy: -26.054
where: short stacking energy: -22.243
Base-Backbone interact. energy: -1.738
local terms energy: -51.593316
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -237.730728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.730728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.730728 (E_RNA)
where:
Base-Base interactions energy: -156.855
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.090
local terms energy: -80.785406
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -16.381
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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -234.343666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.343666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.343666 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -68.026
Base-Backbone interact. energy: -1.230
local terms energy: -78.208004
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -227.468430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.468430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.468430 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.100
local terms energy: -78.294049
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -226.590559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.590559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.590559 (E_RNA)
where:
Base-Base interactions energy: -155.481
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.000
local terms energy: -71.109211
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -221.809150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.809150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.809150 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.256
local terms energy: -75.754387
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -15.813
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -224.262590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.262590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.262590 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.117
local terms energy: -66.855154
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -10.340
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: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -153.016156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.016156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.016156 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.043
local terms energy: -55.898846
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -5.979
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -148.655435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.655435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.655435 (E_RNA)
where:
Base-Base interactions energy: -89.763
where: short stacking energy: -37.839
Base-Backbone interact. energy: -0.256
local terms energy: -58.637214
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -83.905059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905059 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.582
local terms energy: -50.666785
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -94.014776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.014776 (E_RNA)
where:
Base-Base interactions energy: -40.711
where: short stacking energy: -26.551
Base-Backbone interact. energy: -1.034
local terms energy: -52.269432
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -1.131
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -235.049101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.049101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.049101 (E_RNA)
where:
Base-Base interactions energy: -158.696
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.015
local terms energy: -76.338372
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -231.590657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.590657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.590657 (E_RNA)
where:
Base-Base interactions energy: -164.848
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.293
local terms energy: -66.449994
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -16.223
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -233.055445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055445 (E_RNA)
where:
Base-Base interactions energy: -152.736
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.000
local terms energy: -80.318538
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.294
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: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -234.198727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.198727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.198727 (E_RNA)
where:
Base-Base interactions energy: -161.956
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.044
local terms energy: -72.198364
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -227.119698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.119698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.119698 (E_RNA)
where:
Base-Base interactions energy: -152.448
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.060
local terms energy: -74.611553
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -220.590698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.590698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590698 (E_RNA)
where:
Base-Base interactions energy: -148.221
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.206
local terms energy: -72.163616
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -19.274
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: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -154.231661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.231661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.231661 (E_RNA)
where:
Base-Base interactions energy: -90.373
where: short stacking energy: -46.051
Base-Backbone interact. energy: -2.178
local terms energy: -61.680859
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -146.954941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.954941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.954941 (E_RNA)
where:
Base-Base interactions energy: -90.626
where: short stacking energy: -35.187
Base-Backbone interact. energy: -0.237
local terms energy: -56.091192
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -8.495
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: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -78.342028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.342028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.342028 (E_RNA)
where:
Base-Base interactions energy: -21.917
where: short stacking energy: -20.233
Base-Backbone interact. energy: -0.583
local terms energy: -55.842235
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -2.454
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: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.688903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.688903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.688903 (E_RNA)
where:
Base-Base interactions energy: -28.159
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.026
local terms energy: -46.503516
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 4.309
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -234.092980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.092980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.092980 (E_RNA)
where:
Base-Base interactions energy: -149.940
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.282
local terms energy: -83.871143
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -12.029
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: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -226.035904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.035904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.035904 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.112
local terms energy: -76.985474
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -228.723314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.723314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.723314 (E_RNA)
where:
Base-Base interactions energy: -160.889
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.046
local terms energy: -67.788427
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.110
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -216.692696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.692696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.692696 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -58.112
Base-Backbone interact. energy: -0.142
local terms energy: -69.402106
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -226.590577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.590577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.590577 (E_RNA)
where:
Base-Base interactions energy: -150.868
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.151
local terms energy: -75.571043
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -219.548155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548155 (E_RNA)
where:
Base-Base interactions energy: -152.114
where: short stacking energy: -65.042
Base-Backbone interact. energy: 1.008
local terms energy: -68.442235
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -19.543
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -152.833230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.833230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.833230 (E_RNA)
where:
Base-Base interactions energy: -97.664
where: short stacking energy: -43.995
Base-Backbone interact. energy: 0.056
local terms energy: -55.224583
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -7.822
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: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -174.220577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.220577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.220577 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -49.682
Base-Backbone interact. energy: -0.064
local terms energy: -55.399383
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -84.884037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.884037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.884037 (E_RNA)
where:
Base-Base interactions energy: -28.442
where: short stacking energy: -19.541
Base-Backbone interact. energy: -0.153
local terms energy: -56.288421
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -1.540
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: 271
Temperature: 1.350000
Total energy: -70.527547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.527547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.527547 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -28.325
Base-Backbone interact. energy: 0.667
local terms energy: -42.869349
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.722
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: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -231.263485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.263485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.263485 (E_RNA)
where:
Base-Base interactions energy: -150.591
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.015
local terms energy: -80.657771
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.966
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: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -233.053467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.053467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.053467 (E_RNA)
where:
Base-Base interactions energy: -151.877
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.075
local terms energy: -81.101260
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.634
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: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -224.555985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.555985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.555985 (E_RNA)
where:
Base-Base interactions energy: -147.833
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.510
local terms energy: -76.212942
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -215.606924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.606924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.606924 (E_RNA)
where:
Base-Base interactions energy: -146.786
where: short stacking energy: -49.967
Base-Backbone interact. energy: -0.103
local terms energy: -68.717743
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -13.864
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: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -213.117617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.117617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.117617 (E_RNA)
where:
Base-Base interactions energy: -143.385
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.604
local terms energy: -69.129327
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -214.195628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.195628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.195628 (E_RNA)
where:
Base-Base interactions energy: -144.087
where: short stacking energy: -64.070
Base-Backbone interact. energy: -0.348
local terms energy: -69.760496
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -217.700522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700522 (E_RNA)
where:
Base-Base interactions energy: -141.991
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.001
local terms energy: -75.708758
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -10.841
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: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -146.928822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.928822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.928822 (E_RNA)
where:
Base-Base interactions energy: -88.913
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.102
local terms energy: -57.913655
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -87.959472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959472 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.015
local terms energy: -50.225408
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -86.516339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.516339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.516339 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.140
local terms energy: -55.901464
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -6.005
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -245.966478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.966478 (E_RNA)
where:
Base-Base interactions energy: -167.304
where: short stacking energy: -78.342
Base-Backbone interact. energy: -0.013
local terms energy: -78.649508
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -235.204911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.204911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.204911 (E_RNA)
where:
Base-Base interactions energy: -158.836
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.001
local terms energy: -76.368455
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -13.247
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: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -229.613001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.613001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.613001 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.100
local terms energy: -75.116222
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -216.785336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.785336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.785336 (E_RNA)
where:
Base-Base interactions energy: -142.650
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.465
local terms energy: -73.670450
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -218.664431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664431 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.293
local terms energy: -67.830853
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -215.328908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.328908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.328908 (E_RNA)
where:
Base-Base interactions energy: -147.937
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.100
local terms energy: -67.291982
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -213.317027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.317027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.317027 (E_RNA)
where:
Base-Base interactions energy: -142.687
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.090
local terms energy: -70.540439
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -141.041023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.041023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.041023 (E_RNA)
where:
Base-Base interactions energy: -85.970
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.323
local terms energy: -54.747314
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -88.579557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.579557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.579557 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -34.859
Base-Backbone interact. energy: 0.137
local terms energy: -46.125171
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -7.535
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -86.750479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750479 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.077
local terms energy: -48.709265
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -6.942
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: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -243.878344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.878344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.878344 (E_RNA)
where:
Base-Base interactions energy: -165.910
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.009
local terms energy: -77.959973
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -18.490
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: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -230.769766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.769766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.769766 (E_RNA)
where:
Base-Base interactions energy: -150.454
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.113
local terms energy: -80.202870
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -226.835127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.835127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.835127 (E_RNA)
where:
Base-Base interactions energy: -149.840
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.103
local terms energy: -76.892678
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -20.551
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: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -231.952822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.952822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.952822 (E_RNA)
where:
Base-Base interactions energy: -155.787
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.018
local terms energy: -76.147176
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -222.194172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.194172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.194172 (E_RNA)
where:
Base-Base interactions energy: -146.218
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.811
local terms energy: -75.164743
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -19.096
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -220.702249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.702249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.702249 (E_RNA)
where:
Base-Base interactions energy: -146.889
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.009
local terms energy: -73.803995
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.223
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -166.569816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.569816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.569816 (E_RNA)
where:
Base-Base interactions energy: -115.355
where: short stacking energy: -41.786
Base-Backbone interact. energy: -0.130
local terms energy: -51.084910
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -11.466
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -206.578999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.578999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.578999 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.085
local terms energy: -64.848089
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -83.182000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.182000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.182000 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -17.382
Base-Backbone interact. energy: -0.006
local terms energy: -53.475997
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -6.845
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: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.480585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.480585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.480585 (E_RNA)
where:
Base-Base interactions energy: -34.809
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.261
local terms energy: -40.411039
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -0.538
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: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -241.392181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.392181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.392181 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.014
local terms energy: -81.836792
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -235.029782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.029782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.029782 (E_RNA)
where:
Base-Base interactions energy: -157.293
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.058
local terms energy: -77.678500
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -20.480
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: 275
Temperature: 1.000000
Total energy: -237.781268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.781268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.781268 (E_RNA)
where:
Base-Base interactions energy: -165.597
where: short stacking energy: -69.919
Base-Backbone interact. energy: -0.003
local terms energy: -72.181723
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -226.361496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361496 (E_RNA)
where:
Base-Base interactions energy: -148.345
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.876
local terms energy: -77.140679
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -218.766631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.766631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.766631 (E_RNA)
where:
Base-Base interactions energy: -149.809
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.011
local terms energy: -68.946596
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -216.222643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222643 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -61.811
Base-Backbone interact. energy: 0.217
local terms energy: -66.679998
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -17.843
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: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -189.845839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.845839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845839 (E_RNA)
where:
Base-Base interactions energy: -135.251
where: short stacking energy: -48.169
Base-Backbone interact. energy: 0.496
local terms energy: -55.090766
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -77.413293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.413293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.413293 (E_RNA)
where:
Base-Base interactions energy: -28.783
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.382
local terms energy: -48.248393
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -144.024234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.024234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.024234 (E_RNA)
where:
Base-Base interactions energy: -82.205
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.050
local terms energy: -61.769513
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.661
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: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -78.032657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.032657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.032657 (E_RNA)
where:
Base-Base interactions energy: -27.842
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.196
local terms energy: -49.995329
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -8.321
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -7.982
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: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -237.506316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.506316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.506316 (E_RNA)
where:
Base-Base interactions energy: -164.077
where: short stacking energy: -71.101
Base-Backbone interact. energy: 1.761
local terms energy: -75.190262
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -229.432038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.432038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.432038 (E_RNA)
where:
Base-Base interactions energy: -151.483
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.097
local terms energy: -77.852167
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -19.376
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -233.307058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.307058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.307058 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.047
local terms energy: -72.702720
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.709
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: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -226.590518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.590518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.590518 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.019
local terms energy: -80.463259
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -224.840742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.840742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.840742 (E_RNA)
where:
Base-Base interactions energy: -155.761
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.001
local terms energy: -69.078228
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -217.511088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.511088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.511088 (E_RNA)
where:
Base-Base interactions energy: -145.746
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.014
local terms energy: -71.750221
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.470
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: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -211.022270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.022270 (E_RNA)
where:
Base-Base interactions energy: -148.182
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.562
local terms energy: -62.277534
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -91.155423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.155423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.155423 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.274
local terms energy: -55.305562
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -136.262036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.262036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.262036 (E_RNA)
where:
Base-Base interactions energy: -82.064
where: short stacking energy: -41.797
Base-Backbone interact. energy: -0.253
local terms energy: -53.944600
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -5.591
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: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.297792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.297792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.297792 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.009
local terms energy: -56.029593
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -237.987808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.987808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.987808 (E_RNA)
where:
Base-Base interactions energy: -163.248
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.807
local terms energy: -73.932673
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -236.948479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.948479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.948479 (E_RNA)
where:
Base-Base interactions energy: -156.381
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.002
local terms energy: -80.566005
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -233.474602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.474602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474602 (E_RNA)
where:
Base-Base interactions energy: -153.671
where: short stacking energy: -60.257
Base-Backbone interact. energy: 0.215
local terms energy: -80.018172
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -229.056698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.056698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.056698 (E_RNA)
where:
Base-Base interactions energy: -157.459
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.177
local terms energy: -71.420859
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -230.290928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.290928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.290928 (E_RNA)
where:
Base-Base interactions energy: -152.864
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.042
local terms energy: -77.385261
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -19.415
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: 277
Temperature: 1.150000
Total energy: -216.881323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.881323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.881323 (E_RNA)
where:
Base-Base interactions energy: -150.471
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.143
local terms energy: -66.267269
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -212.104864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.104864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104864 (E_RNA)
where:
Base-Base interactions energy: -144.308
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.208
local terms energy: -67.588482
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -20.877
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: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.274623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274623 (E_RNA)
where:
Base-Base interactions energy: -29.688
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.101
local terms energy: -58.485646
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.151441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151441 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -33.210
Base-Backbone interact. energy: 0.999
local terms energy: -47.189360
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -5.194
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: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -85.978483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.978483 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -24.528
Base-Backbone interact. energy: -0.576
local terms energy: -52.953182
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -241.871743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.871743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.871743 (E_RNA)
where:
Base-Base interactions energy: -163.495
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.001
local terms energy: -78.376238
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -232.492293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.492293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492293 (E_RNA)
where:
Base-Base interactions energy: -152.490
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.070
local terms energy: -79.931413
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -23.393
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: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -229.397223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.397223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.397223 (E_RNA)
where:
Base-Base interactions energy: -154.122
where: short stacking energy: -64.461
Base-Backbone interact. energy: -0.106
local terms energy: -75.169395
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -224.299352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.299352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.299352 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.072
local terms energy: -81.462729
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -221.329411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329411 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.021
local terms energy: -69.502603
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -16.035
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: 278
Temperature: 1.150000
Total energy: -213.061745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.061745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.061745 (E_RNA)
where:
Base-Base interactions energy: -147.269
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.241
local terms energy: -65.551419
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -21.806
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -213.254161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.254161 (E_RNA)
where:
Base-Base interactions energy: -138.346
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.007
local terms energy: -74.901494
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -107.650172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.650172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.650172 (E_RNA)
where:
Base-Base interactions energy: -58.610
where: short stacking energy: -26.308
Base-Backbone interact. energy: -0.681
local terms energy: -48.359448
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -79.338704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.338704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.338704 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.346
local terms energy: -44.746499
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -88.536870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536870 (E_RNA)
where:
Base-Base interactions energy: -35.570
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.049
local terms energy: -52.917898
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -5.847
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: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -244.319173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319173 (E_RNA)
where:
Base-Base interactions energy: -167.601
where: short stacking energy: -72.639
Base-Backbone interact. energy: -0.125
local terms energy: -76.593201
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.304
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: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -234.021721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.021721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.021721 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -68.336
Base-Backbone interact. energy: 0.615
local terms energy: -76.737791
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.028
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: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -221.622185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.622185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.622185 (E_RNA)
where:
Base-Base interactions energy: -146.941
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.079
local terms energy: -74.602589
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.822
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: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -218.107703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.107703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.107703 (E_RNA)
where:
Base-Base interactions energy: -154.608
where: short stacking energy: -53.707
Base-Backbone interact. energy: 0.065
local terms energy: -63.564314
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -223.495943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.495943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.495943 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.094
local terms energy: -72.016641
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -20.652
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -209.544088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.544088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.544088 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.105
local terms energy: -69.179152
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -205.246590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.246590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.246590 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.122
local terms energy: -63.185094
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -71.674651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.674651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.674651 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -22.587
Base-Backbone interact. energy: -1.354
local terms energy: -44.483733
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -0.555
tors. eta vs tors. theta energy: -4.871
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: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -120.136982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.136982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.136982 (E_RNA)
where:
Base-Base interactions energy: -67.319
where: short stacking energy: -34.872
Base-Backbone interact. energy: -0.194
local terms energy: -52.623910
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -77.787882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787882 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -27.562
Base-Backbone interact. energy: -0.045
local terms energy: -48.682354
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -235.630861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.630861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.630861 (E_RNA)
where:
Base-Base interactions energy: -163.700
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.001
local terms energy: -71.929885
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -235.275385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.275385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.275385 (E_RNA)
where:
Base-Base interactions energy: -154.541
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.004
local terms energy: -80.730399
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -225.623137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.623137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.623137 (E_RNA)
where:
Base-Base interactions energy: -153.178
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.032
local terms energy: -72.412848
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -226.814183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.814183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.814183 (E_RNA)
where:
Base-Base interactions energy: -153.376
where: short stacking energy: -73.470
Base-Backbone interact. energy: -0.240
local terms energy: -73.198540
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -216.312821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.312821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.312821 (E_RNA)
where:
Base-Base interactions energy: -140.979
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.003
local terms energy: -75.331224
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -209.646043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.646043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.646043 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.064
local terms energy: -70.941840
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -204.326342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326342 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.001
local terms energy: -58.314751
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -85.174494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174494 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -24.874
Base-Backbone interact. energy: -0.113
local terms energy: -49.778330
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -4.309
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: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -96.545128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545128 (E_RNA)
where:
Base-Base interactions energy: -48.697
where: short stacking energy: -20.098
Base-Backbone interact. energy: -0.097
local terms energy: -47.750676
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: 2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -86.772863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.772863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.772863 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -13.037
Base-Backbone interact. energy: 0.935
local terms energy: -40.888668
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: 2.779
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: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -233.408657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408657 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.006
local terms energy: -76.893989
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -228.290740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.290740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.290740 (E_RNA)
where:
Base-Base interactions energy: -151.659
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.064
local terms energy: -76.567792
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -18.078
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -232.753212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.753212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.753212 (E_RNA)
where:
Base-Base interactions energy: -154.210
where: short stacking energy: -66.182
Base-Backbone interact. energy: 0.348
local terms energy: -78.890860
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -218.558189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.558189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558189 (E_RNA)
where:
Base-Base interactions energy: -143.951
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.065
local terms energy: -74.542358
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -17.743
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: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -221.927534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927534 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.085
local terms energy: -76.252674
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -20.417
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -224.467287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.467287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.467287 (E_RNA)
where:
Base-Base interactions energy: -152.019
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.113
local terms energy: -72.335773
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -204.811123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811123 (E_RNA)
where:
Base-Base interactions energy: -142.219
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.049
local terms energy: -62.542617
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -87.871109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.871109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.871109 (E_RNA)
where:
Base-Base interactions energy: -31.307
where: short stacking energy: -29.126
Base-Backbone interact. energy: -0.734
local terms energy: -55.829869
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -89.502451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.502451 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -34.268
Base-Backbone interact. energy: -0.040
local terms energy: -51.524902
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -4.364
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -97.626933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626933 (E_RNA)
where:
Base-Base interactions energy: -68.582
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.143
local terms energy: -28.901763
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -4.158
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -234.590308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.590308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.590308 (E_RNA)
where:
Base-Base interactions energy: -159.766
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.121
local terms energy: -74.702944
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -234.667155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.667155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.667155 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -65.094
Base-Backbone interact. energy: -0.043
local terms energy: -77.930263
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -234.073596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.073596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.073596 (E_RNA)
where:
Base-Base interactions energy: -157.335
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.004
local terms energy: -76.734590
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -225.858769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.858769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.858769 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.157
local terms energy: -78.166811
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -20.694
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: 282
Temperature: 1.100000
Total energy: -214.397956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.397956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.397956 (E_RNA)
where:
Base-Base interactions energy: -139.662
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.588
local terms energy: -74.147569
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -219.603170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.603170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.603170 (E_RNA)
where:
Base-Base interactions energy: -144.769
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.020
local terms energy: -74.814187
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -220.056554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.056554 (E_RNA)
where:
Base-Base interactions energy: -149.662
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.002
local terms energy: -70.393047
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -19.274
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: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -87.360989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360989 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -22.135
Base-Backbone interact. energy: -0.088
local terms energy: -53.961569
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -0.038
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: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.337328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337328 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -24.501
Base-Backbone interact. energy: -0.445
local terms energy: -48.372423
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -74.641147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.641147 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -15.705
Base-Backbone interact. energy: 0.287
local terms energy: -45.263638
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 2.511
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -236.383582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.383582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.383582 (E_RNA)
where:
Base-Base interactions energy: -164.683
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.009
local terms energy: -71.691486
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -233.405735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.405735 (E_RNA)
where:
Base-Base interactions energy: -159.236
where: short stacking energy: -66.917
Base-Backbone interact. energy: -0.269
local terms energy: -73.901640
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -22.314
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -235.913479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.913479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.913479 (E_RNA)
where:
Base-Base interactions energy: -155.358
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.016
local terms energy: -80.539045
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -18.433
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -225.615809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.615809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615809 (E_RNA)
where:
Base-Base interactions energy: -148.817
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.004
local terms energy: -76.794888
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -21.041
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: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -223.090261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090261 (E_RNA)
where:
Base-Base interactions energy: -146.823
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.001
local terms energy: -76.266613
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -218.795982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.795982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.795982 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.056
local terms energy: -72.722538
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.422
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -210.206244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.206244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.206244 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.485
local terms energy: -66.814482
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -19.368
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: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -90.030833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.030833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.030833 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.135
local terms energy: -48.483174
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -5.488
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: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -83.605890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.605890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.605890 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.248
local terms energy: -47.774212
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -75.136422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.136422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.136422 (E_RNA)
where:
Base-Base interactions energy: -23.639
where: short stacking energy: -20.462
Base-Backbone interact. energy: -0.120
local terms energy: -51.377757
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -238.481711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.481711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481711 (E_RNA)
where:
Base-Base interactions energy: -156.401
where: short stacking energy: -72.862
Base-Backbone interact. energy: -0.021
local terms energy: -82.059380
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -23.922
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: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -227.208399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.208399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.208399 (E_RNA)
where:
Base-Base interactions energy: -151.627
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.093
local terms energy: -75.488175
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -231.515352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.515352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.515352 (E_RNA)
where:
Base-Base interactions energy: -150.554
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.009
local terms energy: -80.952655
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.824
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: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -221.959928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.959928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.959928 (E_RNA)
where:
Base-Base interactions energy: -154.589
where: short stacking energy: -59.306
Base-Backbone interact. energy: -0.379
local terms energy: -66.992298
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -9.339
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: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -228.830382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.830382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.830382 (E_RNA)
where:
Base-Base interactions energy: -149.052
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.000
local terms energy: -79.777628
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.571
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -215.755149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.755149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.755149 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -65.276
Base-Backbone interact. energy: 0.062
local terms energy: -64.435839
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.929
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: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -215.140446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.140446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.140446 (E_RNA)
where:
Base-Base interactions energy: -150.312
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.180
local terms energy: -64.649010
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -88.263589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263589 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.006
local terms energy: -53.699026
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -83.355617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.355617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.355617 (E_RNA)
where:
Base-Base interactions energy: -28.531
where: short stacking energy: -26.784
Base-Backbone interact. energy: 0.245
local terms energy: -55.070283
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -3.388
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: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -75.418344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.418344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.418344 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -20.494
Base-Backbone interact. energy: -0.186
local terms energy: -44.997544
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -5.702
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -236.773400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.773400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.773400 (E_RNA)
where:
Base-Base interactions energy: -156.725
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.123
local terms energy: -79.925252
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -19.198
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: 285
Temperature: 0.950000
Total energy: -226.478001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.478001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.478001 (E_RNA)
where:
Base-Base interactions energy: -154.288
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.076
local terms energy: -72.113330
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -19.771
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -227.670465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.670465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.670465 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.009
local terms energy: -71.806288
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -223.185902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.185902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.185902 (E_RNA)
where:
Base-Base interactions energy: -150.464
where: short stacking energy: -73.974
Base-Backbone interact. energy: -0.014
local terms energy: -72.707649
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -19.414
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: 285
Temperature: 1.100000
Total energy: -225.790554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790554 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -69.856
Base-Backbone interact. energy: 1.383
local terms energy: -71.915046
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -216.992350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.992350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.992350 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.002
local terms energy: -74.006868
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -207.556506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.556506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.556506 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.049
local terms energy: -58.914245
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -0.876
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -74.239718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.239718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.239718 (E_RNA)
where:
Base-Base interactions energy: -26.186
where: short stacking energy: -25.261
Base-Backbone interact. energy: 1.227
local terms energy: -49.280210
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -81.495559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.495559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.495559 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -33.333
Base-Backbone interact. energy: -0.190
local terms energy: -47.972484
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -5.757
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: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -131.928319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.928319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.928319 (E_RNA)
where:
Base-Base interactions energy: -76.467
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.381
local terms energy: -55.079973
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -242.847877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.847877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.847877 (E_RNA)
where:
Base-Base interactions energy: -160.980
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.001
local terms energy: -81.866876
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.923
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: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -239.435942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.435942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.435942 (E_RNA)
where:
Base-Base interactions energy: -160.517
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.007
local terms energy: -78.911944
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -226.892854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.892854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.892854 (E_RNA)
where:
Base-Base interactions energy: -149.003
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.005
local terms energy: -77.884449
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -222.674409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.674409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.674409 (E_RNA)
where:
Base-Base interactions energy: -152.159
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.045
local terms energy: -70.469836
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.184
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -213.365732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.365732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.365732 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.016
local terms energy: -63.431370
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -224.412952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.412952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.412952 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -68.869
Base-Backbone interact. energy: -0.007
local terms energy: -72.190236
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -18.700
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: 286
Temperature: 1.200000
Total energy: -209.064046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.064046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.064046 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.077
local terms energy: -66.649210
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -19.233
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: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -86.874810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874810 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.156
local terms energy: -41.414012
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -3.595
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: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -145.946775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.946775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.946775 (E_RNA)
where:
Base-Base interactions energy: -83.954
where: short stacking energy: -39.269
Base-Backbone interact. energy: -0.180
local terms energy: -61.812951
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.422815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422815 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.079
local terms energy: -55.350735
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -239.873147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.873147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.873147 (E_RNA)
where:
Base-Base interactions energy: -157.336
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.089
local terms energy: -82.448415
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -235.402738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.402738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.402738 (E_RNA)
where:
Base-Base interactions energy: -162.146
where: short stacking energy: -76.063
Base-Backbone interact. energy: -0.000
local terms energy: -73.256874
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -19.197
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -232.442586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.442586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.442586 (E_RNA)
where:
Base-Base interactions energy: -154.838
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.125
local terms energy: -77.479067
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -228.266432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.266432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.266432 (E_RNA)
where:
Base-Base interactions energy: -155.165
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.002
local terms energy: -73.099590
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -23.257
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: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -212.904996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.904996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.904996 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.109
local terms energy: -61.605881
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -212.885314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885314 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.057
local terms energy: -69.968800
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -210.365281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.365281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.365281 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.055
local terms energy: -64.759961
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -139.252437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.252437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.252437 (E_RNA)
where:
Base-Base interactions energy: -90.545
where: short stacking energy: -38.626
Base-Backbone interact. energy: 0.537
local terms energy: -49.244433
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -108.365389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.365389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.365389 (E_RNA)
where:
Base-Base interactions energy: -48.663
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.058
local terms energy: -59.643797
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -75.539931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.539931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.539931 (E_RNA)
where:
Base-Base interactions energy: -19.892
where: short stacking energy: -19.465
Base-Backbone interact. energy: -0.221
local terms energy: -55.427581
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -1.310
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: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -238.229244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.229244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.229244 (E_RNA)
where:
Base-Base interactions energy: -161.083
where: short stacking energy: -68.164
Base-Backbone interact. energy: -0.190
local terms energy: -76.956512
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -18.854
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: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -236.431578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.431578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.431578 (E_RNA)
where:
Base-Base interactions energy: -163.165
where: short stacking energy: -73.800
Base-Backbone interact. energy: -0.008
local terms energy: -73.258835
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -21.872
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -234.530004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.530004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.530004 (E_RNA)
where:
Base-Base interactions energy: -150.745
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.048
local terms energy: -83.736679
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.306
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -229.647413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647413 (E_RNA)
where:
Base-Base interactions energy: -156.812
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.459
local terms energy: -72.376618
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -220.826405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.826405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826405 (E_RNA)
where:
Base-Base interactions energy: -150.790
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.063
local terms energy: -69.972888
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -21.347
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: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -208.913872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913872 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.088
local terms energy: -70.761376
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -13.696
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -217.354909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.354909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.354909 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.629
local terms energy: -70.308951
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -19.850
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -103.796395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.796395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.796395 (E_RNA)
where:
Base-Base interactions energy: -55.808
where: short stacking energy: -16.762
Base-Backbone interact. energy: -0.219
local terms energy: -47.769538
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.364954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.364954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.364954 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.180
local terms energy: -57.176502
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -78.176559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.176559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.176559 (E_RNA)
where:
Base-Base interactions energy: -43.675
where: short stacking energy: -21.625
Base-Backbone interact. energy: 2.909
local terms energy: -37.410827
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: 0.412
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: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -236.406968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.406968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.406968 (E_RNA)
where:
Base-Base interactions energy: -159.148
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.039
local terms energy: -77.219791
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -229.372330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.372330 (E_RNA)
where:
Base-Base interactions energy: -153.161
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.054
local terms energy: -76.157412
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -229.124731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.124731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.124731 (E_RNA)
where:
Base-Base interactions energy: -154.355
where: short stacking energy: -65.240
Base-Backbone interact. energy: -0.002
local terms energy: -74.767910
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -19.020
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: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -225.846709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846709 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.000
local terms energy: -76.943074
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -20.593
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: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -227.089836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089836 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.161
local terms energy: -72.802056
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.770
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: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -206.650201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.650201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.650201 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.336
local terms energy: -59.875024
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -13.579
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -220.182369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.182369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.182369 (E_RNA)
where:
Base-Base interactions energy: -154.458
where: short stacking energy: -68.702
Base-Backbone interact. energy: 0.517
local terms energy: -66.241638
where:
bonds (distance) C4'-P energy: -4.622
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -77.865789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.865789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.865789 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.068
local terms energy: -48.418882
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -115.017466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.017466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.017466 (E_RNA)
where:
Base-Base interactions energy: -65.012
where: short stacking energy: -30.889
Base-Backbone interact. energy: 1.180
local terms energy: -51.185326
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -2.202
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: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -78.043361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.043361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.043361 (E_RNA)
where:
Base-Base interactions energy: -24.577
where: short stacking energy: -24.577
Base-Backbone interact. energy: -0.181
local terms energy: -53.285152
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -243.805720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.805720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.805720 (E_RNA)
where:
Base-Base interactions energy: -163.450
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.004
local terms energy: -80.351698
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -245.107688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.107688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.107688 (E_RNA)
where:
Base-Base interactions energy: -162.088
where: short stacking energy: -67.743
Base-Backbone interact. energy: 0.327
local terms energy: -83.347316
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -22.290
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: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -228.752136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.752136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.752136 (E_RNA)
where:
Base-Base interactions energy: -150.441
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.940
local terms energy: -77.370373
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -22.010
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -223.184071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.184071 (E_RNA)
where:
Base-Base interactions energy: -150.470
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.001
local terms energy: -72.713069
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -219.712604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.712604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.712604 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -52.639
Base-Backbone interact. energy: 0.289
local terms energy: -67.021745
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -210.030023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.030023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.030023 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.085
local terms energy: -62.299663
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -10.863
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -216.512066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.512066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.512066 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -66.841
Base-Backbone interact. energy: 0.245
local terms energy: -66.440831
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -84.639194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639194 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.008
local terms energy: -56.963076
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -87.072425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072425 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.200
local terms energy: -44.877988
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -80.243355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243355 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.213
local terms energy: -47.441211
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -4.001
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: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -235.392800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.392800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.392800 (E_RNA)
where:
Base-Base interactions energy: -155.428
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.000
local terms energy: -79.964564
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -239.564978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.564978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.564978 (E_RNA)
where:
Base-Base interactions energy: -159.986
where: short stacking energy: -69.940
Base-Backbone interact. energy: -0.014
local terms energy: -79.565432
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -20.956
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: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -228.881049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.881049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.881049 (E_RNA)
where:
Base-Base interactions energy: -151.978
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.003
local terms energy: -76.899999
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -230.537343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.537343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.537343 (E_RNA)
where:
Base-Base interactions energy: -153.794
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.002
local terms energy: -76.741237
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -23.077
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: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -210.545682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.545682 (E_RNA)
where:
Base-Base interactions energy: -150.167
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.087
local terms energy: -60.292384
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -217.305051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.305051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.305051 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.001
local terms energy: -68.916348
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -216.661442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.661442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.661442 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -63.258
Base-Backbone interact. energy: -0.898
local terms energy: -71.807909
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -16.685
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: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -100.291994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.291994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.291994 (E_RNA)
where:
Base-Base interactions energy: -53.384
where: short stacking energy: -20.880
Base-Backbone interact. energy: -0.205
local terms energy: -46.702832
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -84.292594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.292594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.292594 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.111
local terms energy: -47.069219
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -4.813
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -74.880398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880398 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.481
local terms energy: -48.407990
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -247.001423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.001423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.001423 (E_RNA)
where:
Base-Base interactions energy: -157.323
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.013
local terms energy: -89.666090
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -226.987121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.987121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.987121 (E_RNA)
where:
Base-Base interactions energy: -148.793
where: short stacking energy: -61.988
Base-Backbone interact. energy: 0.385
local terms energy: -78.578625
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.736
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: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -229.596445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.596445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596445 (E_RNA)
where:
Base-Base interactions energy: -156.351
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.304
local terms energy: -72.940944
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -21.593
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: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -224.603843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.603843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.603843 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.072
local terms energy: -70.125487
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -225.382079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.382079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.382079 (E_RNA)
where:
Base-Base interactions energy: -157.941
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.215
local terms energy: -67.226644
where:
bonds (distance) C4'-P energy: -6.704
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -17.842
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -216.600941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.600941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.600941 (E_RNA)
where:
Base-Base interactions energy: -151.945
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.193
local terms energy: -64.463413
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -216.690545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.690545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.690545 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.296
local terms energy: -65.184153
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -98.653575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.653575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.653575 (E_RNA)
where:
Base-Base interactions energy: -50.948
where: short stacking energy: -28.061
Base-Backbone interact. energy: -0.232
local terms energy: -47.473209
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -4.616
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: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -75.502042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.502042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.502042 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.016
local terms energy: -46.845922
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -76.882104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.882104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.882104 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.187
local terms energy: -46.934575
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -248.003178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.003178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.003178 (E_RNA)
where:
Base-Base interactions energy: -164.876
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.002
local terms energy: -83.124664
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -240.303158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.303158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.303158 (E_RNA)
where:
Base-Base interactions energy: -163.051
where: short stacking energy: -68.087
Base-Backbone interact. energy: -1.253
local terms energy: -75.999021
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -227.948818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948818 (E_RNA)
where:
Base-Base interactions energy: -161.110
where: short stacking energy: -65.559
Base-Backbone interact. energy: -0.102
local terms energy: -66.736553
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -17.194
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: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -224.079562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.079562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.079562 (E_RNA)
where:
Base-Base interactions energy: -159.713
where: short stacking energy: -63.749
Base-Backbone interact. energy: 2.700
local terms energy: -67.066340
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -224.689241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.689241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.689241 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.178
local terms energy: -69.807275
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -17.496
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: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -220.773084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.773084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.773084 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.000
local terms energy: -70.910390
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -19.789
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: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -205.472025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472025 (E_RNA)
where:
Base-Base interactions energy: -145.565
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.318
local terms energy: -59.588292
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -0.724
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -94.830093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830093 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -42.964
Base-Backbone interact. energy: -0.029
local terms energy: -50.445770
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -8.115
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: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -106.890229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.890229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.890229 (E_RNA)
where:
Base-Base interactions energy: -53.497
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.071
local terms energy: -53.321555
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -7.463
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: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -75.366873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.366873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.366873 (E_RNA)
where:
Base-Base interactions energy: -30.076
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.259
local terms energy: -45.032195
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -241.748252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.748252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.748252 (E_RNA)
where:
Base-Base interactions energy: -164.559
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.001
local terms energy: -77.188439
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -21.038
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -231.713817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.713817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.713817 (E_RNA)
where:
Base-Base interactions energy: -152.353
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.000
local terms energy: -79.360367
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -236.694235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.694235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.694235 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.002
local terms energy: -81.170567
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.802
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: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -220.632611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.632611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.632611 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.001
local terms energy: -75.059670
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -17.953
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: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -221.594645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.594645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.594645 (E_RNA)
where:
Base-Base interactions energy: -149.310
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.002
local terms energy: -72.282954
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -8.035
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: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -217.760980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.760980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.760980 (E_RNA)
where:
Base-Base interactions energy: -151.619
where: short stacking energy: -63.127
Base-Backbone interact. energy: 0.845
local terms energy: -66.986013
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -21.912
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: 294
Temperature: 1.200000
Total energy: -204.514884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.514884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.514884 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -52.003
Base-Backbone interact. energy: 0.289
local terms energy: -69.386112
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -15.242
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: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -112.179637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.179637 (E_RNA)
where:
Base-Base interactions energy: -52.345
where: short stacking energy: -26.991
Base-Backbone interact. energy: -0.079
local terms energy: -59.755612
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -82.894311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.894311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.894311 (E_RNA)
where:
Base-Base interactions energy: -35.538
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.136
local terms energy: -47.220601
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -96.336514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.336514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.336514 (E_RNA)
where:
Base-Base interactions energy: -52.201
where: short stacking energy: -24.261
Base-Backbone interact. energy: -0.241
local terms energy: -43.895001
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -232.326003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.326003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.326003 (E_RNA)
where:
Base-Base interactions energy: -159.147
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.061
local terms energy: -73.118035
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -241.647200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.647200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.647200 (E_RNA)
where:
Base-Base interactions energy: -164.952
where: short stacking energy: -69.010
Base-Backbone interact. energy: -0.006
local terms energy: -76.688480
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -20.755
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: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -231.020729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.020729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.020729 (E_RNA)
where:
Base-Base interactions energy: -157.523
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.053
local terms energy: -73.444327
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -10.790
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: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -236.225753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.225753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.225753 (E_RNA)
where:
Base-Base interactions energy: -162.010
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.376
local terms energy: -73.840314
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -228.686674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.686674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.686674 (E_RNA)
where:
Base-Base interactions energy: -157.195
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.119
local terms energy: -71.371969
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -217.513999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.513999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.513999 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.126
local terms energy: -75.873382
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -221.590247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590247 (E_RNA)
where:
Base-Base interactions energy: -150.773
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.026
local terms energy: -70.790943
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -84.951490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.951490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.951490 (E_RNA)
where:
Base-Base interactions energy: -26.003
where: short stacking energy: -24.645
Base-Backbone interact. energy: -0.589
local terms energy: -58.359376
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -12.374
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: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -89.677622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677622 (E_RNA)
where:
Base-Base interactions energy: -48.031
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.138
local terms energy: -41.508475
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: 1.425
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.658847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.658847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.658847 (E_RNA)
where:
Base-Base interactions energy: -45.867
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.126
local terms energy: -37.665236
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -243.177784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.177784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.177784 (E_RNA)
where:
Base-Base interactions energy: -161.740
where: short stacking energy: -69.509
Base-Backbone interact. energy: -0.241
local terms energy: -81.197090
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -227.860085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.860085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.860085 (E_RNA)
where:
Base-Base interactions energy: -158.746
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.103
local terms energy: -69.011716
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -233.818165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.818165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.818165 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.007
local terms energy: -76.546665
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -224.948854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.948854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948854 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -64.891
Base-Backbone interact. energy: -0.335
local terms energy: -75.980959
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -221.653940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653940 (E_RNA)
where:
Base-Base interactions energy: -149.793
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.065
local terms energy: -71.795411
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.876
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: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -209.446492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446492 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.047
local terms energy: -66.031532
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -193.088327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.088327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.088327 (E_RNA)
where:
Base-Base interactions energy: -128.217
where: short stacking energy: -43.532
Base-Backbone interact. energy: -0.332
local terms energy: -64.539038
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -80.394549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.394549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.394549 (E_RNA)
where:
Base-Base interactions energy: -28.590
where: short stacking energy: -26.239
Base-Backbone interact. energy: -0.308
local terms energy: -51.496318
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -88.369770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.369770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.369770 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -32.947
Base-Backbone interact. energy: -0.190
local terms energy: -49.489143
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -7.840
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -8.388
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.314724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.314724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.314724 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -15.906
Base-Backbone interact. energy: 1.224
local terms energy: -45.341942
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -238.846377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.846377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.846377 (E_RNA)
where:
Base-Base interactions energy: -161.672
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.001
local terms energy: -77.173733
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.223
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: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -239.143558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.143558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.143558 (E_RNA)
where:
Base-Base interactions energy: -156.931
where: short stacking energy: -72.002
Base-Backbone interact. energy: -0.632
local terms energy: -81.580438
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.037
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: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -230.560216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.560216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560216 (E_RNA)
where:
Base-Base interactions energy: -162.761
where: short stacking energy: -72.746
Base-Backbone interact. energy: 2.283
local terms energy: -70.082951
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -20.323
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: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -230.320667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.320667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.320667 (E_RNA)
where:
Base-Base interactions energy: -154.176
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.001
local terms energy: -76.143906
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -19.724
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -219.225244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225244 (E_RNA)
where:
Base-Base interactions energy: -148.215
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.110
local terms energy: -70.899843
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -8.413
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -169.021472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.021472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.021472 (E_RNA)
where:
Base-Base interactions energy: -112.487
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.143
local terms energy: -56.391729
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -11.858
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -206.005744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005744 (E_RNA)
where:
Base-Base interactions energy: -146.453
where: short stacking energy: -59.321
Base-Backbone interact. energy: -0.512
local terms energy: -59.040818
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -15.286
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -90.293754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293754 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -25.206
Base-Backbone interact. energy: -0.286
local terms energy: -55.064012
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -77.202526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202526 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -31.198
Base-Backbone interact. energy: 2.655
local terms energy: -43.590588
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.611588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.611588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.611588 (E_RNA)
where:
Base-Base interactions energy: -34.095
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.102
local terms energy: -52.414401
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -240.440001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.440001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.440001 (E_RNA)
where:
Base-Base interactions energy: -169.586
where: short stacking energy: -73.283
Base-Backbone interact. energy: -0.000
local terms energy: -70.853238
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -233.727914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.727914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.727914 (E_RNA)
where:
Base-Base interactions energy: -158.430
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.002
local terms energy: -75.296129
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -19.808
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: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -231.586427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586427 (E_RNA)
where:
Base-Base interactions energy: -158.660
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.209
local terms energy: -72.717216
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -7.892
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: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -225.627860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.627860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.627860 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -66.557
Base-Backbone interact. energy: -0.521
local terms energy: -71.699266
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.182
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -230.560318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.560318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560318 (E_RNA)
where:
Base-Base interactions energy: -156.661
where: short stacking energy: -71.690
Base-Backbone interact. energy: -0.000
local terms energy: -73.899363
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -20.565
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: 298
Temperature: 1.150000
Total energy: -143.434373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.434373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.434373 (E_RNA)
where:
Base-Base interactions energy: -91.908
where: short stacking energy: -41.974
Base-Backbone interact. energy: -0.266
local terms energy: -51.259513
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -6.595
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: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -210.370472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.370472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.370472 (E_RNA)
where:
Base-Base interactions energy: -141.900
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.007
local terms energy: -68.463947
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -92.300203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.300203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.300203 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.260
local terms energy: -50.378853
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -81.900296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.900296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.900296 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -24.474
Base-Backbone interact. energy: 0.828
local terms energy: -54.959346
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -3.991
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: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -79.184977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.184977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.184977 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.393
local terms energy: -48.852366
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: 2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -243.543821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.543821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.543821 (E_RNA)
where:
Base-Base interactions energy: -161.427
where: short stacking energy: -77.950
Base-Backbone interact. energy: -0.001
local terms energy: -82.115934
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -242.367780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.367780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.367780 (E_RNA)
where:
Base-Base interactions energy: -163.372
where: short stacking energy: -68.821
Base-Backbone interact. energy: -0.026
local terms energy: -78.969485
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -234.362289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.362289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.362289 (E_RNA)
where:
Base-Base interactions energy: -153.815
where: short stacking energy: -74.477
Base-Backbone interact. energy: -0.038
local terms energy: -80.508658
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -22.815
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -228.724428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.724428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.724428 (E_RNA)
where:
Base-Base interactions energy: -157.346
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.370
local terms energy: -71.007867
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -222.241540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.241540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.241540 (E_RNA)
where:
Base-Base interactions energy: -145.403
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.003
local terms energy: -76.835840
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -202.882554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.882554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.882554 (E_RNA)
where:
Base-Base interactions energy: -131.602
where: short stacking energy: -59.106
Base-Backbone interact. energy: -0.072
local terms energy: -71.208531
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -15.745
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: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -147.936013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.936013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.936013 (E_RNA)
where:
Base-Base interactions energy: -90.786
where: short stacking energy: -38.616
Base-Backbone interact. energy: -0.190
local terms energy: -56.960538
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -4.815
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -97.032107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.032107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.032107 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -30.188
Base-Backbone interact. energy: 0.479
local terms energy: -47.670364
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -81.094536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094536 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.299
local terms energy: -44.739715
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: 1.664
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -85.312765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312765 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.209
local terms energy: -45.311261
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -246.119694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.119694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.119694 (E_RNA)
where:
Base-Base interactions energy: -168.181
where: short stacking energy: -75.860
Base-Backbone interact. energy: -0.665
local terms energy: -77.272843
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -13.081
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: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -234.066006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.066006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.066006 (E_RNA)
where:
Base-Base interactions energy: -152.939
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.810
local terms energy: -80.316675
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -13.366
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: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -230.167306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.167306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.167306 (E_RNA)
where:
Base-Base interactions energy: -153.129
where: short stacking energy: -69.225
Base-Backbone interact. energy: 0.453
local terms energy: -77.491256
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -13.809
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: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -223.541017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.541017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.541017 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.736
local terms energy: -76.925895
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -230.369361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.369361 (E_RNA)
where:
Base-Base interactions energy: -160.238
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.066
local terms energy: -70.065254
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -187.214963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.214963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.214963 (E_RNA)
where:
Base-Base interactions energy: -117.263
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.172
local terms energy: -69.780047
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -163.110766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.110766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.110766 (E_RNA)
where:
Base-Base interactions energy: -99.727
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.072
local terms energy: -63.312246
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -8.479
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -96.602108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.602108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.602108 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -24.450
Base-Backbone interact. energy: -1.016
local terms energy: -54.899500
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -6.528
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: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -84.344349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.344349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.344349 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.060
local terms energy: -42.972927
where:
bonds (distance) C4'-P energy: -4.162
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -2.840
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: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -82.650523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.650523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.650523 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -27.407
Base-Backbone interact. energy: -0.172
local terms energy: -51.574235
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -232.655631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.655631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.655631 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.013
local terms energy: -74.455074
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -7.941
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: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -236.735752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.735752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.735752 (E_RNA)
where:
Base-Base interactions energy: -158.534
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.007
local terms energy: -78.195013
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -229.435350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.435350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.435350 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.460
local terms energy: -68.259634
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -17.436
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: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -235.469832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.469832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.469832 (E_RNA)
where:
Base-Base interactions energy: -157.657
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.022
local terms energy: -77.790637
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -222.609341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609341 (E_RNA)
where:
Base-Base interactions energy: -151.230
where: short stacking energy: -59.611
Base-Backbone interact. energy: 0.497
local terms energy: -71.876405
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -206.926311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.926311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.926311 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.941
local terms energy: -65.652669
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -162.408883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.408883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.408883 (E_RNA)
where:
Base-Base interactions energy: -97.191
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.008
local terms energy: -65.210375
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -95.205152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.205152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.205152 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.168
local terms energy: -49.497389
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -87.757805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757805 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.343
local terms energy: -53.517771
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: 0.308
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: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -84.450352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450352 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -26.108
Base-Backbone interact. energy: -0.101
local terms energy: -53.142247
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -232.550938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.550938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.550938 (E_RNA)
where:
Base-Base interactions energy: -161.423
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.583
local terms energy: -70.544624
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -20.258
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -233.016687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.016687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.016687 (E_RNA)
where:
Base-Base interactions energy: -153.962
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.190
local terms energy: -78.864251
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -20.887
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: 302
Temperature: 1.000000
Total energy: -233.108580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.108580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.108580 (E_RNA)
where:
Base-Base interactions energy: -154.225
where: short stacking energy: -68.957
Base-Backbone interact. energy: -0.376
local terms energy: -78.507016
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -237.167771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.167771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.167771 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.010
local terms energy: -79.438715
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -214.044597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.044597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044597 (E_RNA)
where:
Base-Base interactions energy: -145.788
where: short stacking energy: -59.317
Base-Backbone interact. energy: 0.500
local terms energy: -68.757353
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -14.442
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: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -211.658330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.658330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658330 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.171
local terms energy: -69.649007
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -110.501832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.501832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.501832 (E_RNA)
where:
Base-Base interactions energy: -58.926
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.219
local terms energy: -51.357722
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -140.927359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.927359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.927359 (E_RNA)
where:
Base-Base interactions energy: -82.863
where: short stacking energy: -34.030
Base-Backbone interact. energy: -0.251
local terms energy: -57.813607
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -11.150
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: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -85.046017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046017 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -19.473
Base-Backbone interact. energy: -0.157
local terms energy: -51.751917
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -90.255158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255158 (E_RNA)
where:
Base-Base interactions energy: -43.261
where: short stacking energy: -25.262
Base-Backbone interact. energy: 0.616
local terms energy: -47.610402
where:
bonds (distance) C4'-P energy: -6.706
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -235.296705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.296705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.296705 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.073
local terms energy: -73.155571
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -237.038752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.038752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.038752 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.110
local terms energy: -76.590057
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -8.120
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: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -227.125422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.125422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.125422 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.037
local terms energy: -75.814251
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -228.291987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.291987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.291987 (E_RNA)
where:
Base-Base interactions energy: -153.383
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.003
local terms energy: -74.905988
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -224.216814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.216814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.216814 (E_RNA)
where:
Base-Base interactions energy: -149.057
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.198
local terms energy: -74.961771
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.176
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -218.668910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.668910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.668910 (E_RNA)
where:
Base-Base interactions energy: -152.437
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.575
local terms energy: -65.656958
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -19.503
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -87.819384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819384 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.051
local terms energy: -61.827700
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -3.712
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -153.682948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.682948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.682948 (E_RNA)
where:
Base-Base interactions energy: -95.119
where: short stacking energy: -40.005
Base-Backbone interact. energy: -0.556
local terms energy: -58.007399
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -10.508
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -77.326320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.326320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.326320 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.769
local terms energy: -44.649028
where:
bonds (distance) C4'-P energy: -6.985
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -78.289234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289234 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.240
local terms energy: -38.553184
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -5.019
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -240.914524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.914524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.914524 (E_RNA)
where:
Base-Base interactions energy: -160.805
where: short stacking energy: -67.836
Base-Backbone interact. energy: 0.035
local terms energy: -80.143955
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -236.246889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.246889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.246889 (E_RNA)
where:
Base-Base interactions energy: -160.935
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.001
local terms energy: -75.310734
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -22.324
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: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -227.562211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.562211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.562211 (E_RNA)
where:
Base-Base interactions energy: -150.735
where: short stacking energy: -69.866
Base-Backbone interact. energy: -0.001
local terms energy: -76.826610
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -20.284
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: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -230.670742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.670742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.670742 (E_RNA)
where:
Base-Base interactions energy: -151.586
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.001
local terms energy: -79.083042
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -222.737423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.737423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.737423 (E_RNA)
where:
Base-Base interactions energy: -150.018
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.003
local terms energy: -72.716987
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -215.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.444798 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.202
local terms energy: -72.517157
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -139.069963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.069963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.069963 (E_RNA)
where:
Base-Base interactions energy: -89.184
where: short stacking energy: -45.414
Base-Backbone interact. energy: -0.107
local terms energy: -49.779065
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.533578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533578 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.218
local terms energy: -41.549347
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: 5.404
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: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -91.852296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852296 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -32.758
Base-Backbone interact. energy: -1.187
local terms energy: -53.107826
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.652395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.652395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.652395 (E_RNA)
where:
Base-Base interactions energy: -25.744
where: short stacking energy: -25.744
Base-Backbone interact. energy: -0.013
local terms energy: -49.894936
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -240.290492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.290492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.290492 (E_RNA)
where:
Base-Base interactions energy: -162.709
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.112
local terms energy: -77.468926
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -22.444
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: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -241.528640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.528640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.528640 (E_RNA)
where:
Base-Base interactions energy: -161.538
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.002
local terms energy: -79.989198
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -230.673320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.673320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.673320 (E_RNA)
where:
Base-Base interactions energy: -159.028
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.002
local terms energy: -71.643937
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -239.084668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.084668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.084668 (E_RNA)
where:
Base-Base interactions energy: -159.620
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.016
local terms energy: -79.449204
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -221.599616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599616 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -68.941
Base-Backbone interact. energy: -0.095
local terms energy: -71.400432
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -21.116
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -226.979386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.979386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.979386 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.006
local terms energy: -72.221328
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.105
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: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -141.836324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.836324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.836324 (E_RNA)
where:
Base-Base interactions energy: -86.237
where: short stacking energy: -38.159
Base-Backbone interact. energy: 0.301
local terms energy: -55.900436
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -10.019
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: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -95.808551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.808551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.808551 (E_RNA)
where:
Base-Base interactions energy: -39.601
where: short stacking energy: -34.615
Base-Backbone interact. energy: 0.058
local terms energy: -56.265768
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.195
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: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -73.549650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.549650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.549650 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -22.984
Base-Backbone interact. energy: 2.602
local terms energy: -45.890429
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -75.547788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.547788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.547788 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.364
local terms energy: -42.427613
where:
bonds (distance) C4'-P energy: -5.767
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -237.008910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.008910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.008910 (E_RNA)
where:
Base-Base interactions energy: -158.545
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.002
local terms energy: -78.462119
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -232.458248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.458248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.458248 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.002
local terms energy: -79.106523
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -12.915
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -227.610570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.610570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.610570 (E_RNA)
where:
Base-Base interactions energy: -154.934
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.136
local terms energy: -72.540229
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -228.971927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.971927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.971927 (E_RNA)
where:
Base-Base interactions energy: -149.639
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.216
local terms energy: -79.117610
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -20.024
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -229.086882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.086882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.086882 (E_RNA)
where:
Base-Base interactions energy: -157.408
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.001
local terms energy: -71.677794
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -214.313246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.313246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.313246 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.003
local terms energy: -71.029527
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -21.125
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -149.527403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.527403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.527403 (E_RNA)
where:
Base-Base interactions energy: -83.686
where: short stacking energy: -36.427
Base-Backbone interact. energy: -0.011
local terms energy: -65.830382
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -84.665949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.665949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.665949 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.032
local terms energy: -51.099166
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: 0.915
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: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -105.186512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.186512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.186512 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.330
local terms energy: -59.491537
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -73.263240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.263240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.263240 (E_RNA)
where:
Base-Base interactions energy: -24.962
where: short stacking energy: -24.962
Base-Backbone interact. energy: 0.020
local terms energy: -48.321261
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -8.793
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: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -242.813707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.813707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.813707 (E_RNA)
where:
Base-Base interactions energy: -162.699
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.001
local terms energy: -80.113369
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -19.229
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: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -231.298025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.298025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.298025 (E_RNA)
where:
Base-Base interactions energy: -153.254
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.001
local terms energy: -78.043235
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -23.274
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: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -226.388145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.388145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.388145 (E_RNA)
where:
Base-Base interactions energy: -141.711
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.001
local terms energy: -84.676372
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -225.287329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.287329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.287329 (E_RNA)
where:
Base-Base interactions energy: -152.036
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.417
local terms energy: -72.834540
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -222.311854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311854 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.003
local terms energy: -75.993884
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -220.745398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.745398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.745398 (E_RNA)
where:
Base-Base interactions energy: -150.818
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.289
local terms energy: -69.638030
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -20.389
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: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -151.672118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.672118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.672118 (E_RNA)
where:
Base-Base interactions energy: -98.802
where: short stacking energy: -42.071
Base-Backbone interact. energy: -0.059
local terms energy: -52.810695
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -93.815906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.815906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.815906 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.002
local terms energy: -59.578494
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -7.245
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -93.009407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009407 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.169
local terms energy: -53.669166
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -5.848
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: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.064011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.064011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.064011 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.016
local terms energy: -49.059922
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -4.056
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: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -238.114110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.114110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.114110 (E_RNA)
where:
Base-Base interactions energy: -155.738
where: short stacking energy: -66.938
Base-Backbone interact. energy: -0.001
local terms energy: -82.375547
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -21.236
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -237.726987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.726987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.726987 (E_RNA)
where:
Base-Base interactions energy: -159.597
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.102
local terms energy: -78.028224
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.476
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: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -232.238730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.238730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238730 (E_RNA)
where:
Base-Base interactions energy: -163.131
where: short stacking energy: -70.335
Base-Backbone interact. energy: -0.018
local terms energy: -69.089638
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -226.956967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956967 (E_RNA)
where:
Base-Base interactions energy: -158.103
where: short stacking energy: -70.034
Base-Backbone interact. energy: 0.621
local terms energy: -69.474954
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.776
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: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -224.028400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.028400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.028400 (E_RNA)
where:
Base-Base interactions energy: -151.068
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.026
local terms energy: -72.934796
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -221.734688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.734688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.734688 (E_RNA)
where:
Base-Base interactions energy: -145.291
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.017
local terms energy: -76.426423
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -20.402
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: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -157.925713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.925713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.925713 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -39.657
Base-Backbone interact. energy: 0.190
local terms energy: -59.620441
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -78.950325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950325 (E_RNA)
where:
Base-Base interactions energy: -38.008
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.363
local terms energy: -40.578900
where:
bonds (distance) C4'-P energy: -6.500
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -88.041498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.041498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.041498 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.082
local terms energy: -50.441879
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -7.941
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: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -104.831564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.831564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.831564 (E_RNA)
where:
Base-Base interactions energy: -49.907
where: short stacking energy: -26.138
Base-Backbone interact. energy: 0.395
local terms energy: -55.319094
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -7.872
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: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -237.815755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.815755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.815755 (E_RNA)
where:
Base-Base interactions energy: -160.956
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.416
local terms energy: -76.443655
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -23.125
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: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -233.615276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.615276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.615276 (E_RNA)
where:
Base-Base interactions energy: -157.984
where: short stacking energy: -68.981
Base-Backbone interact. energy: -0.021
local terms energy: -75.609676
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -229.584916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.584916 (E_RNA)
where:
Base-Base interactions energy: -157.521
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.053
local terms energy: -72.011769
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -22.266
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -229.898656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.898656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898656 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -63.240
Base-Backbone interact. energy: -0.169
local terms energy: -79.555946
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -221.589378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589378 (E_RNA)
where:
Base-Base interactions energy: -147.052
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.029
local terms energy: -74.508364
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -156.255663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.255663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.255663 (E_RNA)
where:
Base-Base interactions energy: -90.939
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.387
local terms energy: -64.930199
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.462
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: 309
Temperature: 1.200000
Total energy: -219.013120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.013120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.013120 (E_RNA)
where:
Base-Base interactions energy: -146.813
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.001
local terms energy: -72.198982
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -85.903366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903366 (E_RNA)
where:
Base-Base interactions energy: -25.832
where: short stacking energy: -25.832
Base-Backbone interact. energy: -0.063
local terms energy: -60.008689
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -71.525776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.525776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.525776 (E_RNA)
where:
Base-Base interactions energy: -21.687
where: short stacking energy: -16.567
Base-Backbone interact. energy: -0.310
local terms energy: -49.528813
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 0.116
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: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -81.128338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.128338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.128338 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -12.717
Base-Backbone interact. energy: -0.296
local terms energy: -46.661349
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -240.865970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.865970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.865970 (E_RNA)
where:
Base-Base interactions energy: -165.807
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.483
local terms energy: -74.575978
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -229.828604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.828604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.828604 (E_RNA)
where:
Base-Base interactions energy: -155.189
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.116
local terms energy: -74.523898
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -235.733506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.733506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.733506 (E_RNA)
where:
Base-Base interactions energy: -159.784
where: short stacking energy: -67.113
Base-Backbone interact. energy: -0.047
local terms energy: -75.901684
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -223.136120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.136120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.136120 (E_RNA)
where:
Base-Base interactions energy: -148.592
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.000
local terms energy: -74.543601
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -17.984
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: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -221.825855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.825855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825855 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.083
local terms energy: -80.906352
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -18.358
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: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -157.626575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.626575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.626575 (E_RNA)
where:
Base-Base interactions energy: -96.423
where: short stacking energy: -46.683
Base-Backbone interact. energy: 1.909
local terms energy: -63.112835
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -12.705
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -118.133227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.133227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.133227 (E_RNA)
where:
Base-Base interactions energy: -71.211
where: short stacking energy: -35.533
Base-Backbone interact. energy: 2.466
local terms energy: -49.388257
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -212.266984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.266984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.266984 (E_RNA)
where:
Base-Base interactions energy: -143.933
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.000
local terms energy: -68.333317
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -15.755
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: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -81.984575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984575 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -23.734
Base-Backbone interact. energy: -0.149
local terms energy: -50.796816
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -10.153
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: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -73.153307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.153307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.153307 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.114
local terms energy: -42.966200
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -0.613
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -239.208524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.208524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.208524 (E_RNA)
where:
Base-Base interactions energy: -156.764
where: short stacking energy: -72.063
Base-Backbone interact. energy: -0.752
local terms energy: -81.691987
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -237.165972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.165972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.165972 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -68.724
Base-Backbone interact. energy: 0.010
local terms energy: -74.554961
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -20.296
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: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -227.986294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.986294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.986294 (E_RNA)
where:
Base-Base interactions energy: -152.824
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.016
local terms energy: -75.146916
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -228.207612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.207612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.207612 (E_RNA)
where:
Base-Base interactions energy: -157.438
where: short stacking energy: -62.589
Base-Backbone interact. energy: 0.990
local terms energy: -71.760200
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -225.811920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.811920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.811920 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.017
local terms energy: -71.199537
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -21.226
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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -161.215711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.215711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.215711 (E_RNA)
where:
Base-Base interactions energy: -100.787
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.024
local terms energy: -60.404950
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -127.484365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.484365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.484365 (E_RNA)
where:
Base-Base interactions energy: -76.024
where: short stacking energy: -39.056
Base-Backbone interact. energy: 1.368
local terms energy: -52.828149
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -207.625619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625619 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.139
local terms energy: -69.117499
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -86.495787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.495787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.495787 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.206
local terms energy: -45.110177
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -71.423195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.423195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.423195 (E_RNA)
where:
Base-Base interactions energy: -28.506
where: short stacking energy: -28.506
Base-Backbone interact. energy: 0.603
local terms energy: -43.519999
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 0.028
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: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -242.133612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.133612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.133612 (E_RNA)
where:
Base-Base interactions energy: -162.832
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.095
local terms energy: -79.206376
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -229.311038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.311038 (E_RNA)
where:
Base-Base interactions energy: -152.405
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.326
local terms energy: -76.579764
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -7.413
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -233.287106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.287106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.287106 (E_RNA)
where:
Base-Base interactions energy: -160.443
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.659
local terms energy: -72.185387
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -18.885
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: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -221.716905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.716905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.716905 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.496
local terms energy: -67.551140
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -20.529
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: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -161.100735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.100735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.100735 (E_RNA)
where:
Base-Base interactions energy: -102.710
where: short stacking energy: -43.390
Base-Backbone interact. energy: -0.031
local terms energy: -58.359109
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -13.651
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: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -214.635722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.635722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.635722 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -56.379
Base-Backbone interact. energy: 0.554
local terms energy: -73.926164
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -224.614006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.614006 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.009
local terms energy: -70.887139
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -20.476
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -125.731248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.731248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.731248 (E_RNA)
where:
Base-Base interactions energy: -79.012
where: short stacking energy: -33.854
Base-Backbone interact. energy: 1.350
local terms energy: -48.069655
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -76.431132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.431132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.431132 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -19.417
Base-Backbone interact. energy: -0.960
local terms energy: -49.874880
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -81.998533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.998533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.998533 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -25.798
Base-Backbone interact. energy: -0.060
local terms energy: -52.776469
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -243.569304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.569304 (E_RNA)
where:
Base-Base interactions energy: -160.618
where: short stacking energy: -69.499
Base-Backbone interact. energy: 0.113
local terms energy: -83.064141
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -20.253
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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -238.297009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.297009 (E_RNA)
where:
Base-Base interactions energy: -153.645
where: short stacking energy: -70.765
Base-Backbone interact. energy: -0.000
local terms energy: -84.651890
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -22.872
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: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -228.444680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.444680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.444680 (E_RNA)
where:
Base-Base interactions energy: -157.646
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.248
local terms energy: -70.551133
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.729
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -226.979393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.979393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.979393 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.056
local terms energy: -76.139734
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -19.446
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: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -189.419662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.419662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.419662 (E_RNA)
where:
Base-Base interactions energy: -129.041
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.002
local terms energy: -60.377448
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -222.091343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.091343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.091343 (E_RNA)
where:
Base-Base interactions energy: -152.952
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.058
local terms energy: -69.081734
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -213.271814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.271814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.271814 (E_RNA)
where:
Base-Base interactions energy: -138.112
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.172
local terms energy: -74.986967
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.220
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -159.069416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.069416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.069416 (E_RNA)
where:
Base-Base interactions energy: -93.672
where: short stacking energy: -44.386
Base-Backbone interact. energy: -0.204
local terms energy: -65.192552
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -10.628
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: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -76.180810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.180810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.180810 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -20.584
Base-Backbone interact. energy: -0.196
local terms energy: -50.600331
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -77.032813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.032813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.032813 (E_RNA)
where:
Base-Base interactions energy: -25.901
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.821
local terms energy: -50.310296
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -0.310
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: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -246.121836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.121836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.121836 (E_RNA)
where:
Base-Base interactions energy: -166.446
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.001
local terms energy: -79.675095
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -229.902223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902223 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.027
local terms energy: -79.506577
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -231.262953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.262953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.262953 (E_RNA)
where:
Base-Base interactions energy: -156.525
where: short stacking energy: -71.051
Base-Backbone interact. energy: -0.019
local terms energy: -74.719099
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -230.191133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.191133 (E_RNA)
where:
Base-Base interactions energy: -153.196
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.042
local terms energy: -76.953803
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -216.593233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.593233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.593233 (E_RNA)
where:
Base-Base interactions energy: -143.586
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.245
local terms energy: -72.762808
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -208.711513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.711513 (E_RNA)
where:
Base-Base interactions energy: -137.100
where: short stacking energy: -65.185
Base-Backbone interact. energy: 0.303
local terms energy: -71.913731
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -18.222
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: 314
Temperature: 1.200000
Total energy: -175.035382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.035382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.035382 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.035
local terms energy: -57.311443
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -158.604709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.604709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.604709 (E_RNA)
where:
Base-Base interactions energy: -106.943
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.167
local terms energy: -51.494321
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -3.213
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: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -79.471329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.471329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.471329 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.911
local terms energy: -45.933519
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -86.132544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.132544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.132544 (E_RNA)
where:
Base-Base interactions energy: -42.490
where: short stacking energy: -28.495
Base-Backbone interact. energy: 2.234
local terms energy: -45.877474
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -234.747732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.747732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.747732 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -66.489
Base-Backbone interact. energy: -0.116
local terms energy: -80.904126
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -234.317787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.317787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.317787 (E_RNA)
where:
Base-Base interactions energy: -156.524
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.482
local terms energy: -77.311917
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -227.097300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097300 (E_RNA)
where:
Base-Base interactions energy: -157.309
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.058
local terms energy: -69.730520
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -224.290556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.290556 (E_RNA)
where:
Base-Base interactions energy: -155.198
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.022
local terms energy: -69.071039
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -18.973
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: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -225.375939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.375939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.375939 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.113
local terms energy: -72.549484
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -207.850456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.850456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.850456 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.012
local terms energy: -75.604863
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -19.583
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: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -152.067699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.067699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.067699 (E_RNA)
where:
Base-Base interactions energy: -89.507
where: short stacking energy: -41.327
Base-Backbone interact. energy: 0.401
local terms energy: -62.962129
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -165.224426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.224426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.224426 (E_RNA)
where:
Base-Base interactions energy: -108.704
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.073
local terms energy: -56.446927
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -81.529301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.529301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.529301 (E_RNA)
where:
Base-Base interactions energy: -24.458
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.660
local terms energy: -56.411207
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -5.551
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -79.801347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801347 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.196
local terms energy: -48.960168
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -7.136
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: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -239.244251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.244251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.244251 (E_RNA)
where:
Base-Base interactions energy: -168.179
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.102
local terms energy: -70.963489
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -229.851984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851984 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.687
local terms energy: -72.053892
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -18.856
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: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -227.197485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.197485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.197485 (E_RNA)
where:
Base-Base interactions energy: -157.532
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.088
local terms energy: -69.577936
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -229.640085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.640085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.640085 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -73.872
Base-Backbone interact. energy: 0.053
local terms energy: -73.638000
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -222.204789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.204789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.204789 (E_RNA)
where:
Base-Base interactions energy: -151.049
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.054
local terms energy: -71.101811
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -220.163376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.163376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.163376 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.010
local terms energy: -72.171824
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -161.491329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.491329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.491329 (E_RNA)
where:
Base-Base interactions energy: -101.239
where: short stacking energy: -45.046
Base-Backbone interact. energy: 0.529
local terms energy: -60.781932
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.762
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: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -146.397416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.397416 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -39.324
Base-Backbone interact. energy: -0.180
local terms energy: -58.283270
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -9.508
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -155.961342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.961342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.961342 (E_RNA)
where:
Base-Base interactions energy: -97.930
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.046
local terms energy: -57.984898
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -7.962
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -92.652184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.652184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.652184 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.428
local terms energy: -51.196535
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: 0.808
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -240.161207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.161207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.161207 (E_RNA)
where:
Base-Base interactions energy: -157.980
where: short stacking energy: -66.953
Base-Backbone interact. energy: 0.323
local terms energy: -82.504775
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -19.947
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -233.837022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.837022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.837022 (E_RNA)
where:
Base-Base interactions energy: -156.442
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.037
local terms energy: -77.357698
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -18.732
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -224.617035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.617035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.617035 (E_RNA)
where:
Base-Base interactions energy: -155.355
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.007
local terms energy: -69.255229
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -223.730647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.730647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.730647 (E_RNA)
where:
Base-Base interactions energy: -150.490
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.521
local terms energy: -72.719621
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -20.614
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -220.871799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871799 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -67.077
Base-Backbone interact. energy: -0.166
local terms energy: -77.079752
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -215.290114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.290114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.290114 (E_RNA)
where:
Base-Base interactions energy: -139.454
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.017
local terms energy: -75.818454
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -146.475143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.475143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.475143 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.280
local terms energy: -53.602273
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -140.875007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.875007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.875007 (E_RNA)
where:
Base-Base interactions energy: -82.476
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.103
local terms energy: -58.295784
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -13.172
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: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -146.925484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.925484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.925484 (E_RNA)
where:
Base-Base interactions energy: -94.691
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.146
local terms energy: -52.088979
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -73.668036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.668036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.668036 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.461
local terms energy: -34.510807
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: 4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -236.750723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.750723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.750723 (E_RNA)
where:
Base-Base interactions energy: -165.011
where: short stacking energy: -76.003
Base-Backbone interact. energy: -0.104
local terms energy: -71.636375
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -232.031949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.031949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.031949 (E_RNA)
where:
Base-Base interactions energy: -154.717
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.003
local terms energy: -77.312263
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -227.433031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.433031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.433031 (E_RNA)
where:
Base-Base interactions energy: -150.930
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.006
local terms energy: -76.496450
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -17.721
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: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -228.018225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.018225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.018225 (E_RNA)
where:
Base-Base interactions energy: -160.694
where: short stacking energy: -73.325
Base-Backbone interact. energy: -0.064
local terms energy: -67.260435
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -4.208
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: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -229.617536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.617536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.617536 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.027
local terms energy: -72.263704
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -20.523
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: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -216.172186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.172186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.172186 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -62.825
Base-Backbone interact. energy: -0.003
local terms energy: -77.441510
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -162.028095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.028095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.028095 (E_RNA)
where:
Base-Base interactions energy: -105.123
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.159
local terms energy: -56.746141
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -12.893
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: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -131.652239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.652239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.652239 (E_RNA)
where:
Base-Base interactions energy: -82.419
where: short stacking energy: -46.508
Base-Backbone interact. energy: -0.169
local terms energy: -49.064288
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -2.425
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -141.787496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.787496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.787496 (E_RNA)
where:
Base-Base interactions energy: -83.739
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.859
local terms energy: -57.189437
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -155.970722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.970722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.970722 (E_RNA)
where:
Base-Base interactions energy: -98.258
where: short stacking energy: -44.839
Base-Backbone interact. energy: 1.699
local terms energy: -59.411676
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -240.890266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.890266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.890266 (E_RNA)
where:
Base-Base interactions energy: -163.334
where: short stacking energy: -73.235
Base-Backbone interact. energy: 1.257
local terms energy: -78.813395
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -229.431842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.431842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.431842 (E_RNA)
where:
Base-Base interactions energy: -160.476
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.008
local terms energy: -68.947476
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -18.043
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: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -227.188434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.188434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188434 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.058
local terms energy: -70.022849
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -18.947
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: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -223.366148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.366148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.366148 (E_RNA)
where:
Base-Base interactions energy: -151.172
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.905
local terms energy: -71.288935
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -221.257222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.257222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.257222 (E_RNA)
where:
Base-Base interactions energy: -149.828
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.007
local terms energy: -71.422731
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -20.161
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: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -224.204419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.204419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.204419 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.003
local terms energy: -76.811033
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -155.351283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.351283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.351283 (E_RNA)
where:
Base-Base interactions energy: -99.723
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.046
local terms energy: -55.582743
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -7.428
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -116.400651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.400651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.400651 (E_RNA)
where:
Base-Base interactions energy: -67.210
where: short stacking energy: -28.403
Base-Backbone interact. energy: -0.576
local terms energy: -48.614738
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -3.013
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: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -131.861078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.861078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.861078 (E_RNA)
where:
Base-Base interactions energy: -84.393
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.231
local terms energy: -47.237348
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -5.194
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: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -120.251537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.251537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.251537 (E_RNA)
where:
Base-Base interactions energy: -69.142
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.154
local terms energy: -50.956057
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -234.671683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.671683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.671683 (E_RNA)
where:
Base-Base interactions energy: -156.118
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.144
local terms energy: -78.410143
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.428
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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -236.295980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.295980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.295980 (E_RNA)
where:
Base-Base interactions energy: -163.640
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.075
local terms energy: -72.581091
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.829
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: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -227.611269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.611269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.611269 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.101
local terms energy: -80.883756
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -19.444
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: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -222.042258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042258 (E_RNA)
where:
Base-Base interactions energy: -156.388
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.030
local terms energy: -65.624135
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -20.260
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -229.656503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.656503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.656503 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.016
local terms energy: -73.059741
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -213.867343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867343 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.625
local terms energy: -76.558497
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -22.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -184.486819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.486819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.486819 (E_RNA)
where:
Base-Base interactions energy: -126.483
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.034
local terms energy: -57.969494
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -15.515
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: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -92.229788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229788 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -29.431
Base-Backbone interact. energy: 0.641
local terms energy: -56.619261
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -87.014361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.014361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.014361 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.161
local terms energy: -53.688165
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -7.532
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: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -112.029002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.029002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.029002 (E_RNA)
where:
Base-Base interactions energy: -62.551
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.032
local terms energy: -49.445935
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -238.633432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.633432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.633432 (E_RNA)
where:
Base-Base interactions energy: -160.965
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.675
local terms energy: -76.993885
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -21.436
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: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -237.439766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.439766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.439766 (E_RNA)
where:
Base-Base interactions energy: -156.466
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.005
local terms energy: -80.968802
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -21.211
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: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -234.677250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.677250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.677250 (E_RNA)
where:
Base-Base interactions energy: -158.806
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.254
local terms energy: -75.616735
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -21.114
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: 321
Temperature: 1.050000
Total energy: -226.506309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.506309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.506309 (E_RNA)
where:
Base-Base interactions energy: -153.832
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.001
local terms energy: -72.674093
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -20.302
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -226.030627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.030627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.030627 (E_RNA)
where:
Base-Base interactions energy: -149.962
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.022
local terms energy: -76.047032
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -192.955258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.955258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.955258 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.162
local terms energy: -67.136272
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -11.135
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: 321
Temperature: 1.200000
Total energy: -207.440709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.440709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.440709 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.002
local terms energy: -66.091674
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -16.382
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -162.915441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.915441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.915441 (E_RNA)
where:
Base-Base interactions energy: -95.096
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.050
local terms energy: -67.769952
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -78.259174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259174 (E_RNA)
where:
Base-Base interactions energy: -30.367
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.057
local terms energy: -47.835257
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: 0.135
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: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -101.506543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.506543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.506543 (E_RNA)
where:
Base-Base interactions energy: -48.837
where: short stacking energy: -20.006
Base-Backbone interact. energy: -1.452
local terms energy: -51.217117
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -233.849147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.849147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.849147 (E_RNA)
where:
Base-Base interactions energy: -155.588
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.166
local terms energy: -78.094631
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -19.444
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: 322
Temperature: 0.950000
Total energy: -233.709276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.709276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.709276 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -72.105
Base-Backbone interact. energy: 1.325
local terms energy: -75.309532
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.091
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -235.465223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.465223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.465223 (E_RNA)
where:
Base-Base interactions energy: -157.978
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.001
local terms energy: -77.485468
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -224.669759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.669759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.669759 (E_RNA)
where:
Base-Base interactions energy: -151.781
where: short stacking energy: -71.745
Base-Backbone interact. energy: -0.020
local terms energy: -72.869123
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -20.472
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -221.130448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.130448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.130448 (E_RNA)
where:
Base-Base interactions energy: -149.850
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.033
local terms energy: -71.247141
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -18.482
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -213.148599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.148599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.148599 (E_RNA)
where:
Base-Base interactions energy: -147.823
where: short stacking energy: -66.528
Base-Backbone interact. energy: 0.514
local terms energy: -65.839715
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -214.670042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.670042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.670042 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -71.583
Base-Backbone interact. energy: -0.042
local terms energy: -72.611899
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -176.954562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.954562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.954562 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -48.762
Base-Backbone interact. energy: -0.723
local terms energy: -61.583539
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -90.338019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.338019 (E_RNA)
where:
Base-Base interactions energy: -37.818
where: short stacking energy: -22.652
Base-Backbone interact. energy: 0.100
local terms energy: -52.620095
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.100
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: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -81.129936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.129936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.129936 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -20.402
Base-Backbone interact. energy: -0.259
local terms energy: -45.075041
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -235.128633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128633 (E_RNA)
where:
Base-Base interactions energy: -160.160
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.932
local terms energy: -74.036470
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -21.620
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: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -230.389157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.389157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.389157 (E_RNA)
where:
Base-Base interactions energy: -147.466
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.326
local terms energy: -82.597100
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -21.290
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: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -235.898348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.898348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.898348 (E_RNA)
where:
Base-Base interactions energy: -155.692
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.034
local terms energy: -80.172569
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -22.401
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: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -225.317584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.317584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.317584 (E_RNA)
where:
Base-Base interactions energy: -149.515
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.728
local terms energy: -75.074604
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -18.493
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: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -223.714327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.714327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.714327 (E_RNA)
where:
Base-Base interactions energy: -156.208
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.002
local terms energy: -67.504715
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -216.469384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.469384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.469384 (E_RNA)
where:
Base-Base interactions energy: -148.261
where: short stacking energy: -65.880
Base-Backbone interact. energy: -0.002
local terms energy: -68.205702
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.135
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -215.595579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.595579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595579 (E_RNA)
where:
Base-Base interactions energy: -142.808
where: short stacking energy: -57.513
Base-Backbone interact. energy: -0.085
local terms energy: -72.702853
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -19.982
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -84.528990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.528990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.528990 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -25.406
Base-Backbone interact. energy: -0.272
local terms energy: -46.861536
where:
bonds (distance) C4'-P energy: -6.726
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -159.279463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.279463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.279463 (E_RNA)
where:
Base-Base interactions energy: -104.307
where: short stacking energy: -43.695
Base-Backbone interact. energy: 0.025
local terms energy: -54.998161
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -9.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -83.562367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.562367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.562367 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -24.109
Base-Backbone interact. energy: -0.056
local terms energy: -44.540599
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -236.529700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.529700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.529700 (E_RNA)
where:
Base-Base interactions energy: -161.651
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.004
local terms energy: -74.874702
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -232.923438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.923438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.923438 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -77.471
Base-Backbone interact. energy: -0.001
local terms energy: -73.260168
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -218.478467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.478467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.478467 (E_RNA)
where:
Base-Base interactions energy: -141.540
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.286
local terms energy: -76.652833
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -229.216017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.216017 (E_RNA)
where:
Base-Base interactions energy: -148.102
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.134
local terms energy: -80.979957
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -20.331
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -222.517367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.517367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.517367 (E_RNA)
where:
Base-Base interactions energy: -152.649
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.013
local terms energy: -69.854644
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -16.441
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: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -219.571625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.571625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.571625 (E_RNA)
where:
Base-Base interactions energy: -148.286
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.291
local terms energy: -70.995550
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -204.969658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.969658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.969658 (E_RNA)
where:
Base-Base interactions energy: -140.337
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.239
local terms energy: -64.393437
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -15.698
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: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -80.391314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.391314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.391314 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.512
local terms energy: -42.247754
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -162.777875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.777875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.777875 (E_RNA)
where:
Base-Base interactions energy: -99.849
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.100
local terms energy: -62.827931
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -77.687055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687055 (E_RNA)
where:
Base-Base interactions energy: -26.052
where: short stacking energy: -25.945
Base-Backbone interact. energy: 0.276
local terms energy: -51.911397
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -1.380
tors. eta vs tors. theta energy: -5.351
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -238.413891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.413891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.413891 (E_RNA)
where:
Base-Base interactions energy: -161.981
where: short stacking energy: -65.676
Base-Backbone interact. energy: -0.063
local terms energy: -76.369831
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -236.134509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.134509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.134509 (E_RNA)
where:
Base-Base interactions energy: -166.062
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.143
local terms energy: -69.929584
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -237.540672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.540672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.540672 (E_RNA)
where:
Base-Base interactions energy: -160.581
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.091
local terms energy: -76.868536
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -7.618
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -237.177317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.177317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.177317 (E_RNA)
where:
Base-Base interactions energy: -156.710
where: short stacking energy: -66.242
Base-Backbone interact. energy: 0.390
local terms energy: -80.856859
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -233.395129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.395129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.395129 (E_RNA)
where:
Base-Base interactions energy: -158.100
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.103
local terms energy: -75.191965
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -200.706227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706227 (E_RNA)
where:
Base-Base interactions energy: -133.764
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.054
local terms energy: -66.888212
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -205.042644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.042644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.042644 (E_RNA)
where:
Base-Base interactions energy: -141.049
where: short stacking energy: -53.637
Base-Backbone interact. energy: -0.113
local terms energy: -63.881059
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -168.603292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.603292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.603292 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.153
local terms energy: -62.845709
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -75.072749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.072749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.072749 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -15.374
Base-Backbone interact. energy: -0.808
local terms energy: -46.185061
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -83.518771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.518771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.518771 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -17.418
Base-Backbone interact. energy: -0.350
local terms energy: -49.383283
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -235.866682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.866682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.866682 (E_RNA)
where:
Base-Base interactions energy: -158.164
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.010
local terms energy: -77.692907
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -242.304236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.304236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.304236 (E_RNA)
where:
Base-Base interactions energy: -166.044
where: short stacking energy: -74.119
Base-Backbone interact. energy: 0.422
local terms energy: -76.682802
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -20.219
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: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -232.648455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.648455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.648455 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.005
local terms energy: -74.474900
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.371
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: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -218.975863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.975863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.975863 (E_RNA)
where:
Base-Base interactions energy: -151.817
where: short stacking energy: -63.377
Base-Backbone interact. energy: 0.988
local terms energy: -68.146875
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -223.372873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.372873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.372873 (E_RNA)
where:
Base-Base interactions energy: -152.384
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.001
local terms energy: -70.987224
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -213.978031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.978031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.978031 (E_RNA)
where:
Base-Base interactions energy: -135.414
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.051
local terms energy: -78.513557
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -181.248736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248736 (E_RNA)
where:
Base-Base interactions energy: -119.138
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.196
local terms energy: -61.915315
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -147.582207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.582207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.582207 (E_RNA)
where:
Base-Base interactions energy: -96.963
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.169
local terms energy: -50.450065
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -3.832
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: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -76.306663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.306663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.306663 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.887
local terms energy: -46.600634
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: 3.868
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: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -71.448002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.448002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.448002 (E_RNA)
where:
Base-Base interactions energy: -18.923
where: short stacking energy: -17.990
Base-Backbone interact. energy: -0.284
local terms energy: -52.241481
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -240.510301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.510301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.510301 (E_RNA)
where:
Base-Base interactions energy: -161.862
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.021
local terms energy: -78.626706
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -22.970
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -238.072298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.072298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.072298 (E_RNA)
where:
Base-Base interactions energy: -162.980
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.295
local terms energy: -74.797391
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -234.079958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.079958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.079958 (E_RNA)
where:
Base-Base interactions energy: -154.806
where: short stacking energy: -69.451
Base-Backbone interact. energy: 0.473
local terms energy: -79.746818
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.877
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: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -229.979695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.979695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.979695 (E_RNA)
where:
Base-Base interactions energy: -152.435
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.004
local terms energy: -77.540583
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.070
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: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -210.922753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922753 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.083
local terms energy: -65.847663
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -17.127
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -208.913835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913835 (E_RNA)
where:
Base-Base interactions energy: -146.402
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.058
local terms energy: -62.453426
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -16.143
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: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -174.358119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.358119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.358119 (E_RNA)
where:
Base-Base interactions energy: -112.538
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.806
local terms energy: -61.013700
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -14.786
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: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -142.824346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.824346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.824346 (E_RNA)
where:
Base-Base interactions energy: -84.706
where: short stacking energy: -41.347
Base-Backbone interact. energy: -0.372
local terms energy: -57.746285
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -87.110746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.110746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.110746 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -29.562
Base-Backbone interact. energy: 0.248
local terms energy: -42.984550
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -2.203
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -77.127962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.127962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.127962 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -18.214
Base-Backbone interact. energy: -0.524
local terms energy: -47.337677
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -0.133
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -240.834663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.834663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.834663 (E_RNA)
where:
Base-Base interactions energy: -163.937
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.339
local terms energy: -76.558687
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -236.757284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.757284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.757284 (E_RNA)
where:
Base-Base interactions energy: -157.452
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.023
local terms energy: -79.281934
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.049
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -225.672335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.672335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.672335 (E_RNA)
where:
Base-Base interactions energy: -150.888
where: short stacking energy: -66.231
Base-Backbone interact. energy: -0.280
local terms energy: -74.503439
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -16.503
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: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -224.391879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.391879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.391879 (E_RNA)
where:
Base-Base interactions energy: -146.836
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.010
local terms energy: -77.545381
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -217.298459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.298459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.298459 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.026
local terms energy: -70.066928
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -16.639
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: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -221.131829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131829 (E_RNA)
where:
Base-Base interactions energy: -152.041
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.016
local terms energy: -69.075197
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.627
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: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -177.767691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.767691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.767691 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -55.157
Base-Backbone interact. energy: 1.468
local terms energy: -68.283947
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -142.459706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.459706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.459706 (E_RNA)
where:
Base-Base interactions energy: -88.977
where: short stacking energy: -41.703
Base-Backbone interact. energy: -0.116
local terms energy: -53.366672
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -11.729
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: 328
Temperature: 1.300000
Total energy: -88.115277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.115277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.115277 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.327
local terms energy: -56.851704
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -8.647
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: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -72.795832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.795832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.795832 (E_RNA)
where:
Base-Base interactions energy: -27.605
where: short stacking energy: -23.918
Base-Backbone interact. energy: 2.411
local terms energy: -47.601547
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -233.228821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.228821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.228821 (E_RNA)
where:
Base-Base interactions energy: -153.215
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.035
local terms energy: -79.978629
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -21.157
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: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -236.102627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.102627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.102627 (E_RNA)
where:
Base-Base interactions energy: -161.505
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.077
local terms energy: -74.520895
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.026
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: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -234.478093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.478093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.478093 (E_RNA)
where:
Base-Base interactions energy: -155.390
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.466
local terms energy: -78.621357
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -220.935688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.935688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935688 (E_RNA)
where:
Base-Base interactions energy: -149.119
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.629
local terms energy: -71.186888
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -217.744345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.744345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.744345 (E_RNA)
where:
Base-Base interactions energy: -141.663
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.366
local terms energy: -75.715208
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -226.793067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.793067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.793067 (E_RNA)
where:
Base-Base interactions energy: -154.778
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.093
local terms energy: -71.922189
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -21.900
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -170.457298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.457298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.457298 (E_RNA)
where:
Base-Base interactions energy: -115.380
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.086
local terms energy: -54.991038
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -16.274
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: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -106.751435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.751435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.751435 (E_RNA)
where:
Base-Base interactions energy: -55.323
where: short stacking energy: -25.864
Base-Backbone interact. energy: -0.183
local terms energy: -51.244796
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -76.631412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.631412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.631412 (E_RNA)
where:
Base-Base interactions energy: -20.448
where: short stacking energy: -18.814
Base-Backbone interact. energy: -0.005
local terms energy: -56.178371
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -90.856035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.856035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.856035 (E_RNA)
where:
Base-Base interactions energy: -47.496
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.070
local terms energy: -43.289912
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -235.822180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.822180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.822180 (E_RNA)
where:
Base-Base interactions energy: -158.826
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.095
local terms energy: -76.901199
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -8.802
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: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -234.668966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.668966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.668966 (E_RNA)
where:
Base-Base interactions energy: -158.734
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.046
local terms energy: -75.888291
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -230.729794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.729794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.729794 (E_RNA)
where:
Base-Base interactions energy: -157.568
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.280
local terms energy: -72.881748
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -225.301061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.301061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.301061 (E_RNA)
where:
Base-Base interactions energy: -146.483
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.001
local terms energy: -78.817113
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -23.092
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: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -226.127179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.127179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.127179 (E_RNA)
where:
Base-Base interactions energy: -147.446
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.166
local terms energy: -78.515737
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -218.643774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.643774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.643774 (E_RNA)
where:
Base-Base interactions energy: -150.929
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.570
local terms energy: -67.145405
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -6.559
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -161.875413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.875413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.875413 (E_RNA)
where:
Base-Base interactions energy: -105.652
where: short stacking energy: -50.763
Base-Backbone interact. energy: -0.518
local terms energy: -55.705610
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -87.113546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113546 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.094
local terms energy: -56.113234
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -91.277200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.277200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.277200 (E_RNA)
where:
Base-Base interactions energy: -30.491
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.103
local terms energy: -60.682486
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -5.886
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: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -73.159874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.159874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.159874 (E_RNA)
where:
Base-Base interactions energy: -22.781
where: short stacking energy: -22.900
Base-Backbone interact. energy: 0.047
local terms energy: -50.425196
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -229.495253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.495253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.495253 (E_RNA)
where:
Base-Base interactions energy: -154.979
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.012
local terms energy: -74.504103
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -231.115645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.115645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115645 (E_RNA)
where:
Base-Base interactions energy: -151.137
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.105
local terms energy: -79.873929
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -19.869
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -231.281491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.281491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.281491 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.008
local terms energy: -76.707020
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -18.354
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -226.031343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.031343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.031343 (E_RNA)
where:
Base-Base interactions energy: -152.282
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.001
local terms energy: -73.748485
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.306
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: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -224.477350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477350 (E_RNA)
where:
Base-Base interactions energy: -154.600
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.008
local terms energy: -69.869858
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -221.360632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.360632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.360632 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.008
local terms energy: -72.294221
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -163.008174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.008174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.008174 (E_RNA)
where:
Base-Base interactions energy: -104.054
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.827
local terms energy: -58.127005
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -81.521216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.521216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.521216 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.098
local terms energy: -43.742458
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.650443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650443 (E_RNA)
where:
Base-Base interactions energy: -33.091
where: short stacking energy: -19.870
Base-Backbone interact. energy: 0.853
local terms energy: -56.412124
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -84.930255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930255 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -23.068
Base-Backbone interact. energy: -0.147
local terms energy: -59.774030
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -6.335
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -233.829979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829979 (E_RNA)
where:
Base-Base interactions energy: -158.634
where: short stacking energy: -72.090
Base-Backbone interact. energy: -0.037
local terms energy: -75.158500
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -20.060
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: 332
Temperature: 0.950000
Total energy: -233.033687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.033687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.033687 (E_RNA)
where:
Base-Base interactions energy: -160.428
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.004
local terms energy: -72.601281
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -12.490
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -225.302820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.302820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.302820 (E_RNA)
where:
Base-Base interactions energy: -144.541
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.004
local terms energy: -80.757712
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -233.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.572242 (E_RNA)
where:
Base-Base interactions energy: -157.112
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.094
local terms energy: -76.366088
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -231.815440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.815440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.815440 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.035
local terms energy: -73.913879
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -23.176
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -226.606884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.606884 (E_RNA)
where:
Base-Base interactions energy: -152.594
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.020
local terms energy: -73.993786
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -20.789
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -173.178730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.178730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.178730 (E_RNA)
where:
Base-Base interactions energy: -111.858
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.238
local terms energy: -61.081950
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -76.771535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771535 (E_RNA)
where:
Base-Base interactions energy: -26.551
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.017
local terms energy: -50.203837
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -1.552
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: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -85.716968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.716968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.716968 (E_RNA)
where:
Base-Base interactions energy: -32.162
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.228
local terms energy: -53.326376
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -7.269
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: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -81.757612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757612 (E_RNA)
where:
Base-Base interactions energy: -49.003
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.310
local terms energy: -32.445178
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -235.496780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.496780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.496780 (E_RNA)
where:
Base-Base interactions energy: -156.394
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.014
local terms energy: -79.088838
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -240.428366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.428366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.428366 (E_RNA)
where:
Base-Base interactions energy: -160.050
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.002
local terms energy: -80.376599
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -227.748080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.748080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.748080 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.808
local terms energy: -75.472376
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -20.005
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -224.769283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.769283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.769283 (E_RNA)
where:
Base-Base interactions energy: -153.351
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.079
local terms energy: -71.338952
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -4.974
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: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -230.695468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.695468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.695468 (E_RNA)
where:
Base-Base interactions energy: -156.927
where: short stacking energy: -69.734
Base-Backbone interact. energy: 0.008
local terms energy: -73.776400
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -10.466
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: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -221.778117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.778117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.778117 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.099
local terms energy: -70.348972
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -21.297
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: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -169.250989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.250989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.250989 (E_RNA)
where:
Base-Base interactions energy: -103.350
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.169
local terms energy: -65.732026
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.050261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.050261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.050261 (E_RNA)
where:
Base-Base interactions energy: -43.180
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.282
local terms energy: -42.587687
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: 0.142
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -76.509706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.509706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.509706 (E_RNA)
where:
Base-Base interactions energy: -26.236
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.455
local terms energy: -49.819620
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -3.072
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.294616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.294616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.294616 (E_RNA)
where:
Base-Base interactions energy: -32.919
where: short stacking energy: -28.056
Base-Backbone interact. energy: 0.662
local terms energy: -46.037712
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.174
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: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -239.410908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.410908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.410908 (E_RNA)
where:
Base-Base interactions energy: -156.101
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.441
local terms energy: -82.869217
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -22.452
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: 334
Temperature: 0.950000
Total energy: -227.060435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.060435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.060435 (E_RNA)
where:
Base-Base interactions energy: -153.691
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.993
local terms energy: -72.376052
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -18.791
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -225.867728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.867728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.867728 (E_RNA)
where:
Base-Base interactions energy: -145.349
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.000
local terms energy: -80.518904
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -231.744482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.744482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.744482 (E_RNA)
where:
Base-Base interactions energy: -158.889
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.724
local terms energy: -72.130957
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -222.813574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.813574 (E_RNA)
where:
Base-Base interactions energy: -151.846
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.009
local terms energy: -70.959016
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -21.144
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: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -218.590254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.590254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.590254 (E_RNA)
where:
Base-Base interactions energy: -150.531
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.117
local terms energy: -67.941526
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -20.952
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: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -176.815185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.815185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.815185 (E_RNA)
where:
Base-Base interactions energy: -120.440
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.058
local terms energy: -56.316898
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -84.801202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.801202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.801202 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.006
local terms energy: -54.770487
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -74.812527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.812527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.812527 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -32.168
Base-Backbone interact. energy: 1.102
local terms energy: -43.746904
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -3.156
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -72.002158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.002158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.002158 (E_RNA)
where:
Base-Base interactions energy: -28.545
where: short stacking energy: -28.545
Base-Backbone interact. energy: 1.444
local terms energy: -44.901332
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: 3.126
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: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -239.012708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.012708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.012708 (E_RNA)
where:
Base-Base interactions energy: -157.482
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.004
local terms energy: -81.526852
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -236.251138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.251138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.251138 (E_RNA)
where:
Base-Base interactions energy: -158.738
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.635
local terms energy: -76.878345
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -226.112787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.112787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.112787 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -65.746
Base-Backbone interact. energy: -0.128
local terms energy: -74.185213
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -228.803179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.803179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.803179 (E_RNA)
where:
Base-Base interactions energy: -154.546
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.002
local terms energy: -74.255609
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.264
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -216.541978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.541978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.541978 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.021
local terms energy: -75.117403
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -11.425
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: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -208.437799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.437799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.437799 (E_RNA)
where:
Base-Base interactions energy: -149.045
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.513
local terms energy: -58.879466
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -5.881
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: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -177.361536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.361536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.361536 (E_RNA)
where:
Base-Base interactions energy: -120.504
where: short stacking energy: -61.758
Base-Backbone interact. energy: 0.206
local terms energy: -57.064181
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -16.244
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: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -93.871638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871638 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -25.870
Base-Backbone interact. energy: 0.462
local terms energy: -54.990729
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.210627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210627 (E_RNA)
where:
Base-Base interactions energy: -30.670
where: short stacking energy: -27.119
Base-Backbone interact. energy: -0.036
local terms energy: -52.504853
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -75.574019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.574019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.574019 (E_RNA)
where:
Base-Base interactions energy: -25.705
where: short stacking energy: -21.703
Base-Backbone interact. energy: -0.302
local terms energy: -49.567366
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -235.678253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.678253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.678253 (E_RNA)
where:
Base-Base interactions energy: -158.280
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.007
local terms energy: -77.391746
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -19.613
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: 336
Temperature: 0.950000
Total energy: -236.526006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.526006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.526006 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.008
local terms energy: -74.971461
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -234.846464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.846464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.846464 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.002
local terms energy: -76.537837
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -218.810329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810329 (E_RNA)
where:
Base-Base interactions energy: -142.571
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.217
local terms energy: -76.023045
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -221.452766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.452766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.452766 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -68.610
Base-Backbone interact. energy: -0.016
local terms energy: -72.116493
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -213.037987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.037987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.037987 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.000
local terms energy: -77.478475
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.472
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: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -161.554283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.554283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.554283 (E_RNA)
where:
Base-Base interactions energy: -101.133
where: short stacking energy: -49.500
Base-Backbone interact. energy: 2.862
local terms energy: -63.283633
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.311
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: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -94.917504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.917504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.917504 (E_RNA)
where:
Base-Base interactions energy: -47.596
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.085
local terms energy: -47.236661
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -7.025
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -116.103328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.103328 (E_RNA)
where:
Base-Base interactions energy: -63.447
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.176
local terms energy: -52.480910
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -89.539541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.539541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.539541 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -26.626
Base-Backbone interact. energy: -0.105
local terms energy: -56.222277
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -231.136063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.136063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.136063 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.519
local terms energy: -74.221318
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -239.319620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.319620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.319620 (E_RNA)
where:
Base-Base interactions energy: -162.487
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.230
local terms energy: -76.603109
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -229.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.329370 (E_RNA)
where:
Base-Base interactions energy: -155.954
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.005
local terms energy: -73.370303
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -219.576817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.576817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.576817 (E_RNA)
where:
Base-Base interactions energy: -154.267
where: short stacking energy: -64.159
Base-Backbone interact. energy: 0.778
local terms energy: -66.087792
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -17.588
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: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -226.436004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.436004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.436004 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.119
local terms energy: -75.888851
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -216.151978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151978 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.214
local terms energy: -72.922261
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -175.574708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.574708 (E_RNA)
where:
Base-Base interactions energy: -112.985
where: short stacking energy: -51.721
Base-Backbone interact. energy: 1.202
local terms energy: -63.791732
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -12.559
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: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -122.149193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.149193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.149193 (E_RNA)
where:
Base-Base interactions energy: -65.109
where: short stacking energy: -37.654
Base-Backbone interact. energy: -0.229
local terms energy: -56.811063
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -83.440774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440774 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -27.556
Base-Backbone interact. energy: -0.106
local terms energy: -54.377051
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -77.244797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.244797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.244797 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.294
local terms energy: -44.324397
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -10.873
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: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -236.479579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.479579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.479579 (E_RNA)
where:
Base-Base interactions energy: -159.553
where: short stacking energy: -69.613
Base-Backbone interact. energy: -0.024
local terms energy: -76.902446
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -12.430
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: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -236.396285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.396285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.396285 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.224
local terms energy: -80.145457
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.396
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -218.370152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.370152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.370152 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -61.411
Base-Backbone interact. energy: -1.187
local terms energy: -72.262000
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -17.176
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: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -226.005312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.005312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.005312 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.003
local terms energy: -74.901822
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.448
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: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -228.580457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.580457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.580457 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -63.815
Base-Backbone interact. energy: -0.084
local terms energy: -74.368257
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.411
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -215.397734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.397734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.397734 (E_RNA)
where:
Base-Base interactions energy: -143.431
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.206
local terms energy: -71.761206
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -17.991
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -133.456552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.456552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.456552 (E_RNA)
where:
Base-Base interactions energy: -83.997
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.139
local terms energy: -49.320748
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -2.664
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -134.154942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.154942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.154942 (E_RNA)
where:
Base-Base interactions energy: -75.585
where: short stacking energy: -36.075
Base-Backbone interact. energy: -0.116
local terms energy: -58.454264
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -81.251336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.251336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.251336 (E_RNA)
where:
Base-Base interactions energy: -24.528
where: short stacking energy: -24.528
Base-Backbone interact. energy: -0.198
local terms energy: -56.525297
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -74.184292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.184292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.184292 (E_RNA)
where:
Base-Base interactions energy: -30.092
where: short stacking energy: -17.384
Base-Backbone interact. energy: -0.339
local terms energy: -43.753575
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: 5.784
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: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -239.497267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.497267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.497267 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.548
local terms energy: -81.043379
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -228.249439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.249439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.249439 (E_RNA)
where:
Base-Base interactions energy: -157.970
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.122
local terms energy: -70.157717
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -16.251
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -224.929531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.929531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.929531 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -59.600
Base-Backbone interact. energy: 0.267
local terms energy: -76.138337
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -225.127431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.127431 (E_RNA)
where:
Base-Base interactions energy: -148.421
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.265
local terms energy: -76.441188
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -217.735908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.735908 (E_RNA)
where:
Base-Base interactions energy: -145.043
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.158
local terms energy: -72.534589
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -18.127
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: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -222.650741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.650741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.650741 (E_RNA)
where:
Base-Base interactions energy: -152.009
where: short stacking energy: -69.615
Base-Backbone interact. energy: -0.013
local terms energy: -70.628256
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -137.478123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.478123 (E_RNA)
where:
Base-Base interactions energy: -81.750
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.177
local terms energy: -55.550340
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -81.434912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.434912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.434912 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -31.070
Base-Backbone interact. energy: -0.259
local terms energy: -49.732302
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -86.786881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786881 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -29.199
Base-Backbone interact. energy: 0.388
local terms energy: -55.004143
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.507750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.507750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.507750 (E_RNA)
where:
Base-Base interactions energy: -23.746
where: short stacking energy: -20.842
Base-Backbone interact. energy: -0.149
local terms energy: -54.613177
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -6.151
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -237.401185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.401185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.401185 (E_RNA)
where:
Base-Base interactions energy: -160.115
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.095
local terms energy: -77.191901
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.132
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -233.288566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.288566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.288566 (E_RNA)
where:
Base-Base interactions energy: -157.102
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.318
local terms energy: -75.868675
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -18.725
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -229.586199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.586199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.586199 (E_RNA)
where:
Base-Base interactions energy: -151.441
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.097
local terms energy: -78.048988
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -226.997981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.997981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.997981 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.000
local terms energy: -77.145820
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -219.582116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.582116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.582116 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.625
local terms energy: -70.458041
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -214.227371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.227371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.227371 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.070
local terms energy: -69.231326
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -132.745532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.745532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.745532 (E_RNA)
where:
Base-Base interactions energy: -87.007
where: short stacking energy: -38.345
Base-Backbone interact. energy: -0.148
local terms energy: -45.590303
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -1.864
tors. eta vs tors. theta energy: -7.111
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: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -88.170532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.170532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.170532 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.687
local terms energy: -48.898730
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -82.722999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.722999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.722999 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -14.746
Base-Backbone interact. energy: -0.236
local terms energy: -42.164532
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -4.538
flat angles P-C4'-P energy: -9.530
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -82.120732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.120732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.120732 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.624
local terms energy: -44.260986
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -2.432
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: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -241.283334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.283334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.283334 (E_RNA)
where:
Base-Base interactions energy: -159.768
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.021
local terms energy: -81.494740
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -232.173425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.173425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.173425 (E_RNA)
where:
Base-Base interactions energy: -158.945
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.223
local terms energy: -73.005795
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.338
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: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -229.853491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.853491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.853491 (E_RNA)
where:
Base-Base interactions energy: -158.019
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.018
local terms energy: -71.817281
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -231.016172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.016172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.016172 (E_RNA)
where:
Base-Base interactions energy: -152.048
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.051
local terms energy: -78.917322
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -20.302
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: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -215.649590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.649590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.649590 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -67.676
Base-Backbone interact. energy: -0.166
local terms energy: -66.738793
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -220.402675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.402675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.402675 (E_RNA)
where:
Base-Base interactions energy: -149.119
where: short stacking energy: -58.290
Base-Backbone interact. energy: 0.359
local terms energy: -71.643069
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -137.212804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.212804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.212804 (E_RNA)
where:
Base-Base interactions energy: -74.179
where: short stacking energy: -49.300
Base-Backbone interact. energy: -0.588
local terms energy: -62.446298
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -81.552367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.552367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.552367 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -34.270
Base-Backbone interact. energy: 3.750
local terms energy: -45.583037
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -4.285
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: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -123.784547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.784547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.784547 (E_RNA)
where:
Base-Base interactions energy: -72.367
where: short stacking energy: -32.540
Base-Backbone interact. energy: -0.090
local terms energy: -51.326804
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -9.875
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: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.759207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.759207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.759207 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -29.356
Base-Backbone interact. energy: 1.413
local terms energy: -50.816334
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -4.656
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: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -243.333565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.333565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.333565 (E_RNA)
where:
Base-Base interactions energy: -163.752
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.004
local terms energy: -79.577220
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -235.121865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.121865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.121865 (E_RNA)
where:
Base-Base interactions energy: -159.787
where: short stacking energy: -70.494
Base-Backbone interact. energy: 0.754
local terms energy: -76.089092
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -224.652685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652685 (E_RNA)
where:
Base-Base interactions energy: -155.776
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.185
local terms energy: -68.691140
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -228.633032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.633032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.633032 (E_RNA)
where:
Base-Base interactions energy: -155.196
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.098
local terms energy: -73.338719
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -230.715393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.715393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.715393 (E_RNA)
where:
Base-Base interactions energy: -148.183
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.214
local terms energy: -82.317801
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -223.302584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.302584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.302584 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.003
local terms energy: -75.798627
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -136.704199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.704199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.704199 (E_RNA)
where:
Base-Base interactions energy: -83.897
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.027
local terms energy: -52.779823
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -80.514020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514020 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -24.282
Base-Backbone interact. energy: -0.337
local terms energy: -42.015969
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: 1.324
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: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -92.860301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.860301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.860301 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.055
local terms energy: -59.091056
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -140.916594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.916594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.916594 (E_RNA)
where:
Base-Base interactions energy: -91.776
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.106
local terms energy: -49.035409
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -234.549189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.549189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.549189 (E_RNA)
where:
Base-Base interactions energy: -153.586
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.438
local terms energy: -80.525774
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -230.256383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.256383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.256383 (E_RNA)
where:
Base-Base interactions energy: -161.102
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.108
local terms energy: -69.046259
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -215.807091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.807091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.807091 (E_RNA)
where:
Base-Base interactions energy: -149.057
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.153
local terms energy: -66.597582
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -10.761
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: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -218.648106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648106 (E_RNA)
where:
Base-Base interactions energy: -148.024
where: short stacking energy: -66.245
Base-Backbone interact. energy: 0.291
local terms energy: -70.915202
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -226.153627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.153627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.153627 (E_RNA)
where:
Base-Base interactions energy: -151.892
where: short stacking energy: -65.547
Base-Backbone interact. energy: -0.574
local terms energy: -73.686989
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.832
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -216.364595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.364595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.364595 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -61.576
Base-Backbone interact. energy: 0.609
local terms energy: -64.298288
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -125.233985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.233985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.233985 (E_RNA)
where:
Base-Base interactions energy: -77.251
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.906
local terms energy: -47.076726
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -0.141
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: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -84.274813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.274813 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -30.463
Base-Backbone interact. energy: 0.461
local terms energy: -48.555303
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.489796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.489796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.489796 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -33.233
Base-Backbone interact. energy: -2.177
local terms energy: -46.178455
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -121.962492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.962492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.962492 (E_RNA)
where:
Base-Base interactions energy: -65.922
where: short stacking energy: -36.701
Base-Backbone interact. energy: 0.532
local terms energy: -56.572811
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -237.538460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.538460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.538460 (E_RNA)
where:
Base-Base interactions energy: -157.350
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.006
local terms energy: -80.182509
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.719
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: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -238.620220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.620220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.620220 (E_RNA)
where:
Base-Base interactions energy: -158.166
where: short stacking energy: -76.356
Base-Backbone interact. energy: -0.003
local terms energy: -80.451287
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -233.281441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281441 (E_RNA)
where:
Base-Base interactions energy: -157.224
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.001
local terms energy: -76.055989
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.790
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: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -217.344560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.344560 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.215
local terms energy: -70.589725
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -223.370226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.370226 (E_RNA)
where:
Base-Base interactions energy: -158.235
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.047
local terms energy: -65.087637
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -222.327398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.327398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327398 (E_RNA)
where:
Base-Base interactions energy: -149.211
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.001
local terms energy: -73.115810
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -125.644101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.644101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.644101 (E_RNA)
where:
Base-Base interactions energy: -75.903
where: short stacking energy: -26.875
Base-Backbone interact. energy: 0.166
local terms energy: -49.907477
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -82.423745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.423745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.423745 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -21.606
Base-Backbone interact. energy: -0.042
local terms energy: -55.143597
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -84.218671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.218671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.218671 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.342
local terms energy: -54.391305
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -80.767929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767929 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.359
local terms energy: -50.819733
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.492
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: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -246.323678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.323678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.323678 (E_RNA)
where:
Base-Base interactions energy: -161.116
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.003
local terms energy: -85.204565
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -231.313672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.313672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.313672 (E_RNA)
where:
Base-Base interactions energy: -156.295
where: short stacking energy: -68.019
Base-Backbone interact. energy: 1.187
local terms energy: -76.205559
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -223.251618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.251618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.251618 (E_RNA)
where:
Base-Base interactions energy: -151.436
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.029
local terms energy: -71.786226
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -10.370
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: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -229.926363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.926363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.926363 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.017
local terms energy: -74.132432
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -14.131
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: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -223.378073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.378073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.378073 (E_RNA)
where:
Base-Base interactions energy: -148.027
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.003
local terms energy: -75.348065
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -216.096985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.096985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.096985 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.026
local terms energy: -70.698833
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -17.871
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: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -110.741386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.741386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.741386 (E_RNA)
where:
Base-Base interactions energy: -51.936
where: short stacking energy: -40.366
Base-Backbone interact. energy: -2.249
local terms energy: -56.556679
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.846
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: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -86.205687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.205687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.205687 (E_RNA)
where:
Base-Base interactions energy: -32.991
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.031
local terms energy: -53.183541
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -5.283
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: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -79.369678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369678 (E_RNA)
where:
Base-Base interactions energy: -31.741
where: short stacking energy: -30.844
Base-Backbone interact. energy: -2.071
local terms energy: -45.557368
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -4.043
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: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -76.407691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.407691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.407691 (E_RNA)
where:
Base-Base interactions energy: -24.871
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.274
local terms energy: -51.263206
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -234.053941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.053941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.053941 (E_RNA)
where:
Base-Base interactions energy: -157.461
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.004
local terms energy: -76.589086
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -18.759
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: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -245.606956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.606956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.606956 (E_RNA)
where:
Base-Base interactions energy: -162.821
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.005
local terms energy: -82.780769
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -21.801
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: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -232.498435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.498435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.498435 (E_RNA)
where:
Base-Base interactions energy: -156.733
where: short stacking energy: -71.838
Base-Backbone interact. energy: -0.002
local terms energy: -75.764020
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -223.716861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.716861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.716861 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.012
local terms energy: -74.600095
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -225.952349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952349 (E_RNA)
where:
Base-Base interactions energy: -152.014
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.005
local terms energy: -73.932444
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -201.601194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.601194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.601194 (E_RNA)
where:
Base-Base interactions energy: -142.134
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.148
local terms energy: -59.319294
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -7.264
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -97.301253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.301253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.301253 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -26.007
Base-Backbone interact. energy: -1.356
local terms energy: -58.558527
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -77.134604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.134604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.134604 (E_RNA)
where:
Base-Base interactions energy: -30.118
where: short stacking energy: -26.329
Base-Backbone interact. energy: -0.227
local terms energy: -46.789578
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -80.993238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993238 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.112
local terms energy: -56.242716
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -5.060
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: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -76.158159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.158159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.158159 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -23.312
Base-Backbone interact. energy: -1.144
local terms energy: -33.926841
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 1.701
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: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -236.594624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.594624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.594624 (E_RNA)
where:
Base-Base interactions energy: -153.706
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.204
local terms energy: -82.684484
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -20.130
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: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -231.310880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.310880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.310880 (E_RNA)
where:
Base-Base interactions energy: -154.302
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.411
local terms energy: -76.597357
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -228.052063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052063 (E_RNA)
where:
Base-Base interactions energy: -155.435
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.278
local terms energy: -72.338878
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.938
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: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -223.910766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.910766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.910766 (E_RNA)
where:
Base-Base interactions energy: -149.032
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.005
local terms energy: -74.873824
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -19.877
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: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -221.004990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.004990 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.056
local terms energy: -67.500760
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.263
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: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -214.408723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408723 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.000
local terms energy: -68.525037
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -90.045746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045746 (E_RNA)
where:
Base-Base interactions energy: -32.497
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.397
local terms energy: -57.151192
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -92.055764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055764 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -27.249
Base-Backbone interact. energy: -0.387
local terms energy: -46.114729
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.687421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687421 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.049
local terms energy: -41.332278
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -1.371
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -81.489657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.489657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.489657 (E_RNA)
where:
Base-Base interactions energy: -28.865
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.054
local terms energy: -52.570404
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -9.308
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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -236.222732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.222732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.222732 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.003
local terms energy: -80.847703
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.769
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: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -230.625150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.625150 (E_RNA)
where:
Base-Base interactions energy: -150.384
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.114
local terms energy: -80.126520
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -21.354
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: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -228.040659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.040659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.040659 (E_RNA)
where:
Base-Base interactions energy: -155.121
where: short stacking energy: -61.919
Base-Backbone interact. energy: 0.254
local terms energy: -73.174051
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -227.452559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.452559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.452559 (E_RNA)
where:
Base-Base interactions energy: -147.968
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.032
local terms energy: -79.452347
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -225.217346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.217346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.217346 (E_RNA)
where:
Base-Base interactions energy: -146.999
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.085
local terms energy: -78.133296
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -22.152
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: 348
Temperature: 1.150000
Total energy: -218.170774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.170774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.170774 (E_RNA)
where:
Base-Base interactions energy: -149.394
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.022
local terms energy: -68.755058
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -129.946838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.946838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.946838 (E_RNA)
where:
Base-Base interactions energy: -80.673
where: short stacking energy: -45.310
Base-Backbone interact. energy: 0.109
local terms energy: -49.382769
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -89.847179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.847179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.847179 (E_RNA)
where:
Base-Base interactions energy: -38.537
where: short stacking energy: -38.537
Base-Backbone interact. energy: 0.122
local terms energy: -51.432131
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -10.146
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: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -75.674723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.674723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.674723 (E_RNA)
where:
Base-Base interactions energy: -21.881
where: short stacking energy: -21.339
Base-Backbone interact. energy: -0.239
local terms energy: -53.554783
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -88.956327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956327 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -14.412
Base-Backbone interact. energy: -1.396
local terms energy: -51.405730
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -9.405
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: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -237.761160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.761160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.761160 (E_RNA)
where:
Base-Base interactions energy: -155.055
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.498
local terms energy: -82.207523
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -228.419467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.419467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.419467 (E_RNA)
where:
Base-Base interactions energy: -155.081
where: short stacking energy: -68.828
Base-Backbone interact. energy: -0.060
local terms energy: -73.279111
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -230.422209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422209 (E_RNA)
where:
Base-Base interactions energy: -154.040
where: short stacking energy: -66.715
Base-Backbone interact. energy: -0.189
local terms energy: -76.193787
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -18.557
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: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -225.540816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.540816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.540816 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.604
local terms energy: -72.842040
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -16.761
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -226.719558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.719558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.719558 (E_RNA)
where:
Base-Base interactions energy: -151.914
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.004
local terms energy: -74.801987
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -207.604635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.604635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.604635 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.466
local terms energy: -63.163264
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -140.546008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.546008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.546008 (E_RNA)
where:
Base-Base interactions energy: -88.787
where: short stacking energy: -39.786
Base-Backbone interact. energy: -0.621
local terms energy: -51.138614
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.950239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.950239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.950239 (E_RNA)
where:
Base-Base interactions energy: -52.266
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.166
local terms energy: -40.518151
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -1.323
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -85.094798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.094798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.094798 (E_RNA)
where:
Base-Base interactions energy: -32.267
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.143
local terms energy: -52.684462
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -10.681
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -88.578369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578369 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.298
local terms energy: -56.990275
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -240.595267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.595267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.595267 (E_RNA)
where:
Base-Base interactions energy: -157.825
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.020
local terms energy: -82.750496
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -12.820
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: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -236.278204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.278204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.278204 (E_RNA)
where:
Base-Base interactions energy: -159.599
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.004
local terms energy: -76.675422
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.553
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: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -230.046877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.046877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.046877 (E_RNA)
where:
Base-Base interactions energy: -153.807
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.025
local terms energy: -76.215008
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -221.020619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020619 (E_RNA)
where:
Base-Base interactions energy: -153.043
where: short stacking energy: -68.153
Base-Backbone interact. energy: -0.058
local terms energy: -67.919436
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -224.877043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.877043 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.064
local terms energy: -78.152772
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -18.233
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: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -229.186203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.186203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.186203 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.083
local terms energy: -67.278524
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -15.657
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: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -148.809528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.809528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.809528 (E_RNA)
where:
Base-Base interactions energy: -95.914
where: short stacking energy: -44.866
Base-Backbone interact. energy: -0.331
local terms energy: -52.565262
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -13.190
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: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -88.542616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542616 (E_RNA)
where:
Base-Base interactions energy: -37.431
where: short stacking energy: -37.431
Base-Backbone interact. energy: -0.112
local terms energy: -50.999039
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -79.225330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.225330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.225330 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.103
local terms energy: -48.371309
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -90.234572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234572 (E_RNA)
where:
Base-Base interactions energy: -40.332
where: short stacking energy: -28.299
Base-Backbone interact. energy: -0.544
local terms energy: -49.358067
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -240.856364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.856364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.856364 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -75.456
Base-Backbone interact. energy: -0.110
local terms energy: -78.478645
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -22.265
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: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -235.148864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.148864 (E_RNA)
where:
Base-Base interactions energy: -156.183
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.077
local terms energy: -78.888883
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -23.432
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -231.721940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.721940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.721940 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.038
local terms energy: -80.584071
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -23.127
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -225.332162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.332162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.332162 (E_RNA)
where:
Base-Base interactions energy: -156.036
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.001
local terms energy: -69.295015
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -224.700506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.700506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.700506 (E_RNA)
where:
Base-Base interactions energy: -155.585
where: short stacking energy: -67.054
Base-Backbone interact. energy: -0.657
local terms energy: -68.458869
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -20.862
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -212.945052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945052 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -57.118
Base-Backbone interact. energy: -0.168
local terms energy: -73.481737
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -11.772
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: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -155.458594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.458594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.458594 (E_RNA)
where:
Base-Base interactions energy: -88.775
where: short stacking energy: -45.163
Base-Backbone interact. energy: -0.034
local terms energy: -66.649746
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -95.274676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.274676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.274676 (E_RNA)
where:
Base-Base interactions energy: -45.286
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.579
local terms energy: -49.409395
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -88.356653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.356653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.356653 (E_RNA)
where:
Base-Base interactions energy: -28.268
where: short stacking energy: -27.944
Base-Backbone interact. energy: -1.326
local terms energy: -58.762966
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -2.991
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: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -70.847052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.847052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.847052 (E_RNA)
where:
Base-Base interactions energy: -27.048
where: short stacking energy: -21.585
Base-Backbone interact. energy: -0.666
local terms energy: -43.133156
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: 2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -238.562431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.562431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.562431 (E_RNA)
where:
Base-Base interactions energy: -163.736
where: short stacking energy: -65.878
Base-Backbone interact. energy: 0.888
local terms energy: -75.714450
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -11.865
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: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -232.279304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.279304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.279304 (E_RNA)
where:
Base-Base interactions energy: -161.934
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.105
local terms energy: -70.240193
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -225.800911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800911 (E_RNA)
where:
Base-Base interactions energy: -150.903
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.059
local terms energy: -74.838749
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -226.195266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.195266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.195266 (E_RNA)
where:
Base-Base interactions energy: -155.384
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.333
local terms energy: -70.477588
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.961
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: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -221.169068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169068 (E_RNA)
where:
Base-Base interactions energy: -151.782
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.010
local terms energy: -69.376332
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -224.534102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.534102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.534102 (E_RNA)
where:
Base-Base interactions energy: -154.284
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.011
local terms energy: -70.239013
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.190
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: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -145.333606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.333606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.333606 (E_RNA)
where:
Base-Base interactions energy: -87.145
where: short stacking energy: -46.328
Base-Backbone interact. energy: -0.139
local terms energy: -58.049677
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -4.939
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: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -111.508676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.508676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.508676 (E_RNA)
where:
Base-Base interactions energy: -55.438
where: short stacking energy: -27.769
Base-Backbone interact. energy: -0.135
local terms energy: -55.935593
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -74.087932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.087932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.087932 (E_RNA)
where:
Base-Base interactions energy: -31.851
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.084
local terms energy: -42.152131
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -119.987393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.987393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.987393 (E_RNA)
where:
Base-Base interactions energy: -62.829
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.125
local terms energy: -57.034043
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -234.351911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.351911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.351911 (E_RNA)
where:
Base-Base interactions energy: -156.613
where: short stacking energy: -70.724
Base-Backbone interact. energy: 0.280
local terms energy: -78.019028
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -231.604916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.604916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.604916 (E_RNA)
where:
Base-Base interactions energy: -154.818
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.002
local terms energy: -76.785023
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -22.222
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -220.653074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.653074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.653074 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.606
local terms energy: -68.308100
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -226.088857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.088857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.088857 (E_RNA)
where:
Base-Base interactions energy: -153.366
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.000
local terms energy: -72.722573
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -21.605
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: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -222.931481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.931481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.931481 (E_RNA)
where:
Base-Base interactions energy: -146.358
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.467
local terms energy: -76.106032
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -21.300
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: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -213.306545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.306545 (E_RNA)
where:
Base-Base interactions energy: -146.888
where: short stacking energy: -63.911
Base-Backbone interact. energy: 4.071
local terms energy: -70.489861
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -20.410
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: 353
Temperature: 1.200000
Total energy: -148.729789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.729789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.729789 (E_RNA)
where:
Base-Base interactions energy: -88.256
where: short stacking energy: -40.383
Base-Backbone interact. energy: 0.234
local terms energy: -60.707329
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -9.698
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: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -105.978138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.978138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.978138 (E_RNA)
where:
Base-Base interactions energy: -62.271
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.091
local terms energy: -43.616494
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -5.004
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: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -80.501533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.501533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.501533 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -32.006
Base-Backbone interact. energy: -1.337
local terms energy: -45.915809
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -135.026393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.026393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.026393 (E_RNA)
where:
Base-Base interactions energy: -82.316
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.073
local terms energy: -52.637305
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -238.830255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.830255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.830255 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.080
local terms energy: -80.548163
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.155
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: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -229.291603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.291603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.291603 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.307
local terms energy: -79.089305
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -235.736712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.736712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.736712 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.002
local terms energy: -80.179777
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -211.340914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.340914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.340914 (E_RNA)
where:
Base-Base interactions energy: -148.011
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.014
local terms energy: -63.316443
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -224.157165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.157165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.157165 (E_RNA)
where:
Base-Base interactions energy: -146.182
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.141
local terms energy: -77.833499
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -223.337409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.337409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.337409 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.144
local terms energy: -70.995814
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -106.277920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.277920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.277920 (E_RNA)
where:
Base-Base interactions energy: -50.401
where: short stacking energy: -24.646
Base-Backbone interact. energy: -1.320
local terms energy: -54.556809
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -145.698903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.698903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.698903 (E_RNA)
where:
Base-Base interactions energy: -88.759
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.279
local terms energy: -56.661369
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -130.742550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.742550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.742550 (E_RNA)
where:
Base-Base interactions energy: -78.856
where: short stacking energy: -26.048
Base-Backbone interact. energy: 0.278
local terms energy: -52.164915
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -76.432079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.432079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.432079 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.233
local terms energy: -47.168731
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -233.030985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030985 (E_RNA)
where:
Base-Base interactions energy: -153.717
where: short stacking energy: -67.238
Base-Backbone interact. energy: 0.321
local terms energy: -79.635265
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -231.970461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.970461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.970461 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -71.486
Base-Backbone interact. energy: -0.002
local terms energy: -76.122244
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -229.433193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.433193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.433193 (E_RNA)
where:
Base-Base interactions energy: -156.669
where: short stacking energy: -69.273
Base-Backbone interact. energy: -0.001
local terms energy: -72.763522
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -225.531192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.531192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.531192 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.142
local terms energy: -73.057581
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -16.826
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: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -218.081409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.081409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.081409 (E_RNA)
where:
Base-Base interactions energy: -148.766
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.176
local terms energy: -69.139867
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -216.802228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.802228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.802228 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.061
local terms energy: -80.146388
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -20.874
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: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -106.522506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.522506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.522506 (E_RNA)
where:
Base-Base interactions energy: -58.230
where: short stacking energy: -34.500
Base-Backbone interact. energy: 0.412
local terms energy: -48.704203
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -132.156642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.156642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.156642 (E_RNA)
where:
Base-Base interactions energy: -73.670
where: short stacking energy: -35.031
Base-Backbone interact. energy: 0.714
local terms energy: -59.201035
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -5.923
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: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -131.730171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.730171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.730171 (E_RNA)
where:
Base-Base interactions energy: -74.690
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.058
local terms energy: -56.981481
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -70.502206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.502206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.502206 (E_RNA)
where:
Base-Base interactions energy: -24.425
where: short stacking energy: -20.982
Base-Backbone interact. energy: -0.111
local terms energy: -45.966617
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -241.804553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.804553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.804553 (E_RNA)
where:
Base-Base interactions energy: -170.251
where: short stacking energy: -76.857
Base-Backbone interact. energy: -0.201
local terms energy: -71.352609
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -21.291
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -234.203923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.203923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.203923 (E_RNA)
where:
Base-Base interactions energy: -155.120
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.734
local terms energy: -78.349089
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -226.771357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771357 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.001
local terms energy: -74.362837
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.732
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -233.257383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.257383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.257383 (E_RNA)
where:
Base-Base interactions energy: -157.673
where: short stacking energy: -69.970
Base-Backbone interact. energy: -0.047
local terms energy: -75.536505
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -20.428
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: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -222.985327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.985327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.985327 (E_RNA)
where:
Base-Base interactions energy: -152.715
where: short stacking energy: -69.352
Base-Backbone interact. energy: -0.000
local terms energy: -70.269817
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -18.022
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: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -218.444603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444603 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.145
local terms energy: -71.669087
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -150.634737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.634737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.634737 (E_RNA)
where:
Base-Base interactions energy: -86.237
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.018
local terms energy: -64.379055
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -7.482
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -96.061805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.061805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.061805 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -23.120
Base-Backbone interact. energy: -0.452
local terms energy: -53.072377
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -3.852
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: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -138.492796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.492796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.492796 (E_RNA)
where:
Base-Base interactions energy: -84.140
where: short stacking energy: -40.459
Base-Backbone interact. energy: -0.276
local terms energy: -54.076615
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -6.501
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: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -76.414462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.414462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.414462 (E_RNA)
where:
Base-Base interactions energy: -25.953
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.256
local terms energy: -50.205962
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -4.892
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: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -238.084487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.084487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.084487 (E_RNA)
where:
Base-Base interactions energy: -159.446
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.478
local terms energy: -78.160368
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -234.221446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.221446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.221446 (E_RNA)
where:
Base-Base interactions energy: -158.155
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.692
local terms energy: -75.374903
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -231.152990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.152990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.152990 (E_RNA)
where:
Base-Base interactions energy: -156.796
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.011
local terms energy: -74.346310
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -227.847567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.847567 (E_RNA)
where:
Base-Base interactions energy: -157.160
where: short stacking energy: -73.004
Base-Backbone interact. energy: 0.856
local terms energy: -71.543875
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -225.358973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.358973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.358973 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -63.445
Base-Backbone interact. energy: -0.116
local terms energy: -72.135867
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -19.426
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: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -214.686527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.686527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.686527 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.057
local terms energy: -76.063143
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -20.703
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: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -152.529311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.529311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.529311 (E_RNA)
where:
Base-Base interactions energy: -88.654
where: short stacking energy: -39.376
Base-Backbone interact. energy: -0.043
local terms energy: -63.831812
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -9.910
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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -120.946879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.946879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.946879 (E_RNA)
where:
Base-Base interactions energy: -69.245
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.013
local terms energy: -51.688925
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -80.169038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169038 (E_RNA)
where:
Base-Base interactions energy: -27.663
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.050
local terms energy: -52.456626
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -71.875913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.875913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.875913 (E_RNA)
where:
Base-Base interactions energy: -22.606
where: short stacking energy: -22.606
Base-Backbone interact. energy: -0.191
local terms energy: -49.079178
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -242.579793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.579793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.579793 (E_RNA)
where:
Base-Base interactions energy: -169.224
where: short stacking energy: -72.837
Base-Backbone interact. energy: -0.014
local terms energy: -73.342263
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -23.075
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -230.323749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.323749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.323749 (E_RNA)
where:
Base-Base interactions energy: -156.661
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.095
local terms energy: -73.567921
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -229.388527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.388527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.388527 (E_RNA)
where:
Base-Base interactions energy: -159.907
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.137
local terms energy: -69.344688
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -18.998
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: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -224.646303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.646303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.646303 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.011
local terms energy: -78.342626
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -19.869
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: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -219.953954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.953954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.953954 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -59.419
Base-Backbone interact. energy: 0.147
local terms energy: -72.117775
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -218.054998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.054998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.054998 (E_RNA)
where:
Base-Base interactions energy: -153.252
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.095
local terms energy: -64.707633
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.356
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: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -145.973144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.973144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.973144 (E_RNA)
where:
Base-Base interactions energy: -83.018
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.029
local terms energy: -62.926180
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -142.570206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.570206 (E_RNA)
where:
Base-Base interactions energy: -83.146
where: short stacking energy: -35.359
Base-Backbone interact. energy: -1.100
local terms energy: -58.324258
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -79.363485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363485 (E_RNA)
where:
Base-Base interactions energy: -32.354
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.498
local terms energy: -46.510769
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -7.658
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: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -69.911062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.911062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.911062 (E_RNA)
where:
Base-Base interactions energy: -23.534
where: short stacking energy: -22.140
Base-Backbone interact. energy: -0.111
local terms energy: -46.265707
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -2.855
tors. eta vs tors. theta energy: -5.326
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -234.544909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.544909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.544909 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -64.942
Base-Backbone interact. energy: 0.047
local terms energy: -81.142036
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -238.366540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.366540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.366540 (E_RNA)
where:
Base-Base interactions energy: -162.978
where: short stacking energy: -71.072
Base-Backbone interact. energy: 0.510
local terms energy: -75.898744
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.933
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -229.032786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.032786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.032786 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.113
local terms energy: -77.080738
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -227.460476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460476 (E_RNA)
where:
Base-Base interactions energy: -155.841
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.018
local terms energy: -71.601050
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -223.913691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913691 (E_RNA)
where:
Base-Base interactions energy: -150.867
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.006
local terms energy: -73.041202
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -213.704645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704645 (E_RNA)
where:
Base-Base interactions energy: -145.100
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.398
local terms energy: -68.206972
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -18.542
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -148.097391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.097391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.097391 (E_RNA)
where:
Base-Base interactions energy: -90.209
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.115
local terms energy: -57.773186
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -90.291824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.291824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.291824 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.100
local terms energy: -60.404410
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -150.804810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.804810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.804810 (E_RNA)
where:
Base-Base interactions energy: -95.138
where: short stacking energy: -41.523
Base-Backbone interact. energy: 0.107
local terms energy: -55.773641
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -65.395823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.395823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.395823 (E_RNA)
where:
Base-Base interactions energy: -19.746
where: short stacking energy: -19.746
Base-Backbone interact. energy: 0.264
local terms energy: -45.913253
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -235.007239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.007239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.007239 (E_RNA)
where:
Base-Base interactions energy: -159.864
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.109
local terms energy: -75.034584
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.146
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: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -232.961155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.961155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.961155 (E_RNA)
where:
Base-Base interactions energy: -157.054
where: short stacking energy: -70.514
Base-Backbone interact. energy: -0.053
local terms energy: -75.853924
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.536
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: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -227.777619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.777619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.777619 (E_RNA)
where:
Base-Base interactions energy: -151.890
where: short stacking energy: -62.216
Base-Backbone interact. energy: -1.183
local terms energy: -74.704571
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -222.111622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.111622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.111622 (E_RNA)
where:
Base-Base interactions energy: -144.384
where: short stacking energy: -63.150
Base-Backbone interact. energy: 0.589
local terms energy: -78.316903
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -221.087860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.087860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.087860 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.005
local terms energy: -81.378815
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -212.835644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.835644 (E_RNA)
where:
Base-Base interactions energy: -142.904
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.032
local terms energy: -69.899267
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -17.063
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -151.064664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.064664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.064664 (E_RNA)
where:
Base-Base interactions energy: -95.880
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.476
local terms energy: -54.708804
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -89.913612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913612 (E_RNA)
where:
Base-Base interactions energy: -40.059
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.457
local terms energy: -49.397875
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -145.930244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.930244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.930244 (E_RNA)
where:
Base-Base interactions energy: -91.974
where: short stacking energy: -42.209
Base-Backbone interact. energy: -0.161
local terms energy: -53.795680
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.324349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.324349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.324349 (E_RNA)
where:
Base-Base interactions energy: -54.911
where: short stacking energy: -21.625
Base-Backbone interact. energy: -0.235
local terms energy: -33.178264
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -239.580315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.580315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.580315 (E_RNA)
where:
Base-Base interactions energy: -162.807
where: short stacking energy: -76.699
Base-Backbone interact. energy: -0.001
local terms energy: -76.771525
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -22.966
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -234.576277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.576277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.576277 (E_RNA)
where:
Base-Base interactions energy: -156.303
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.005
local terms energy: -78.267935
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -20.756
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -222.210807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210807 (E_RNA)
where:
Base-Base interactions energy: -149.287
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.003
local terms energy: -72.920669
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -230.732546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.732546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.732546 (E_RNA)
where:
Base-Base interactions energy: -150.990
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.003
local terms energy: -79.740222
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -222.760923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760923 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -66.852
Base-Backbone interact. energy: 0.242
local terms energy: -72.005927
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -17.396
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: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -157.065483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.065483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.065483 (E_RNA)
where:
Base-Base interactions energy: -93.000
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.121
local terms energy: -63.944222
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -214.814732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814732 (E_RNA)
where:
Base-Base interactions energy: -146.407
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.099
local terms energy: -68.308524
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.355
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: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -152.578293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.578293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.578293 (E_RNA)
where:
Base-Base interactions energy: -87.991
where: short stacking energy: -47.424
Base-Backbone interact. energy: -0.002
local terms energy: -64.585404
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -12.510
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: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.286364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.286364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.286364 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -27.777
Base-Backbone interact. energy: 0.170
local terms energy: -44.700846
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -68.995746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.995746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.995746 (E_RNA)
where:
Base-Base interactions energy: -27.775
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.017
local terms energy: -41.203681
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 2.359
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: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -235.848996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.848996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.848996 (E_RNA)
where:
Base-Base interactions energy: -160.905
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.012
local terms energy: -74.932669
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -7.466
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: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -237.282931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.282931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.282931 (E_RNA)
where:
Base-Base interactions energy: -157.711
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.042
local terms energy: -79.529802
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -233.652066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.652066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.652066 (E_RNA)
where:
Base-Base interactions energy: -152.696
where: short stacking energy: -64.742
Base-Backbone interact. energy: 0.775
local terms energy: -81.730295
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -18.140
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -226.212175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.212175 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.133
local terms energy: -78.934470
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.156
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: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -215.401753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.401753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.401753 (E_RNA)
where:
Base-Base interactions energy: -143.307
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.053
local terms energy: -72.041333
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -145.124702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.124702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.124702 (E_RNA)
where:
Base-Base interactions energy: -84.594
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.106
local terms energy: -60.424748
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -220.222258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.222258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.222258 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -68.064
Base-Backbone interact. energy: -0.001
local terms energy: -69.914787
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -140.158522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.158522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.158522 (E_RNA)
where:
Base-Base interactions energy: -81.802
where: short stacking energy: -40.579
Base-Backbone interact. energy: -1.165
local terms energy: -57.191558
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -83.330424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330424 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.032
local terms energy: -50.676449
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -10.919
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: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -92.363796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.363796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.363796 (E_RNA)
where:
Base-Base interactions energy: -46.728
where: short stacking energy: -32.012
Base-Backbone interact. energy: 1.655
local terms energy: -47.290290
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -7.527
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: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -236.212676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.212676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.212676 (E_RNA)
where:
Base-Base interactions energy: -156.944
where: short stacking energy: -67.325
Base-Backbone interact. energy: 0.403
local terms energy: -79.671010
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.043
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -233.866757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.866757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.866757 (E_RNA)
where:
Base-Base interactions energy: -156.576
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.001
local terms energy: -77.290143
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -18.945
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: 363
Temperature: 1.000000
Total energy: -227.954497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.954497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.954497 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -61.079
Base-Backbone interact. energy: 0.064
local terms energy: -76.520286
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -18.889
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: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -229.468338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.468338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.468338 (E_RNA)
where:
Base-Base interactions energy: -151.228
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.032
local terms energy: -78.209086
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -211.446612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.446612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.446612 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.062
local terms energy: -70.433479
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -207.680369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.680369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.680369 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.174
local terms energy: -62.876337
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -17.471
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: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -139.609710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.609710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.609710 (E_RNA)
where:
Base-Base interactions energy: -83.779
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.115
local terms energy: -55.716328
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -9.361
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: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -131.975474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.975474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.975474 (E_RNA)
where:
Base-Base interactions energy: -76.388
where: short stacking energy: -33.977
Base-Backbone interact. energy: 1.299
local terms energy: -56.887206
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -83.847492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.847492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.847492 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.117
local terms energy: -49.265075
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -80.113785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113785 (E_RNA)
where:
Base-Base interactions energy: -34.653
where: short stacking energy: -22.845
Base-Backbone interact. energy: -0.362
local terms energy: -45.099714
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -0.178
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: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -234.588133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.588133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.588133 (E_RNA)
where:
Base-Base interactions energy: -163.842
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.027
local terms energy: -70.719174
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -19.051
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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -230.819425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.819425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.819425 (E_RNA)
where:
Base-Base interactions energy: -151.125
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.001
local terms energy: -79.693742
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -22.446
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -226.203242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.203242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.203242 (E_RNA)
where:
Base-Base interactions energy: -156.434
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.024
local terms energy: -69.745638
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -220.833218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.833218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.833218 (E_RNA)
where:
Base-Base interactions energy: -149.614
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.081
local terms energy: -71.138313
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -220.614214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.614214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.614214 (E_RNA)
where:
Base-Base interactions energy: -156.187
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.067
local terms energy: -64.360663
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -8.714
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -20.042
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: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -210.557367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.557367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.557367 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.000
local terms energy: -75.478915
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -139.769489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.769489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.769489 (E_RNA)
where:
Base-Base interactions energy: -88.935
where: short stacking energy: -33.961
Base-Backbone interact. energy: 3.078
local terms energy: -53.911801
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -165.907069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.907069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.907069 (E_RNA)
where:
Base-Base interactions energy: -109.553
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.072
local terms energy: -56.282525
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -0.311
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -83.800931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800931 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -27.580
Base-Backbone interact. energy: -0.166
local terms energy: -54.011780
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -68.556983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.556983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.556983 (E_RNA)
where:
Base-Base interactions energy: -24.334
where: short stacking energy: -23.445
Base-Backbone interact. energy: -0.098
local terms energy: -44.125699
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -235.093878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.093878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.093878 (E_RNA)
where:
Base-Base interactions energy: -157.839
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.013
local terms energy: -77.241947
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -232.174900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.174900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.174900 (E_RNA)
where:
Base-Base interactions energy: -150.488
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.004
local terms energy: -81.683022
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -21.290
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: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -226.769952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.769952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.769952 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -68.163
Base-Backbone interact. energy: -1.069
local terms energy: -76.666733
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -232.339228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.339228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.339228 (E_RNA)
where:
Base-Base interactions energy: -151.896
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.285
local terms energy: -80.157478
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -12.450
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: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -225.816478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816478 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.032
local terms energy: -78.831858
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -220.543939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543939 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.031
local terms energy: -74.035314
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -22.471
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: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -157.401594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.401594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.401594 (E_RNA)
where:
Base-Base interactions energy: -96.921
where: short stacking energy: -46.457
Base-Backbone interact. energy: -0.297
local terms energy: -60.183301
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -165.786328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.786328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.786328 (E_RNA)
where:
Base-Base interactions energy: -99.204
where: short stacking energy: -37.403
Base-Backbone interact. energy: 0.116
local terms energy: -66.697966
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -86.123003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.123003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.123003 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.252
local terms energy: -47.536290
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -77.850301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.850301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.850301 (E_RNA)
where:
Base-Base interactions energy: -25.835
where: short stacking energy: -13.400
Base-Backbone interact. energy: 1.043
local terms energy: -53.058110
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -240.783679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.783679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.783679 (E_RNA)
where:
Base-Base interactions energy: -169.524
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.099
local terms energy: -71.160742
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -236.697031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.697031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.697031 (E_RNA)
where:
Base-Base interactions energy: -158.406
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.187
local terms energy: -78.104000
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -20.476
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: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -223.710367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.710367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.710367 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.097
local terms energy: -74.478206
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -16.030
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: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -220.586717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.586717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.586717 (E_RNA)
where:
Base-Base interactions energy: -147.048
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.002
local terms energy: -73.537042
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -10.974
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -220.578120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.578120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.578120 (E_RNA)
where:
Base-Base interactions energy: -148.884
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.064
local terms energy: -71.630610
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.242
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: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -226.930597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.930597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.930597 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -68.370
Base-Backbone interact. energy: -0.001
local terms energy: -72.877937
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -175.961306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.961306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.961306 (E_RNA)
where:
Base-Base interactions energy: -116.459
where: short stacking energy: -47.063
Base-Backbone interact. energy: -0.145
local terms energy: -59.356958
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -4.758
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: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -175.916403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916403 (E_RNA)
where:
Base-Base interactions energy: -109.097
where: short stacking energy: -50.976
Base-Backbone interact. energy: -0.142
local terms energy: -66.677510
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -9.186
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: 366
Temperature: 1.300000
Total energy: -78.789551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789551 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.092
local terms energy: -42.749123
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -4.691
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: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -74.257708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.257708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.257708 (E_RNA)
where:
Base-Base interactions energy: -23.714
where: short stacking energy: -21.882
Base-Backbone interact. energy: -0.065
local terms energy: -50.478943
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -232.859395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.859395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.859395 (E_RNA)
where:
Base-Base interactions energy: -152.662
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.482
local terms energy: -79.715691
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -234.156754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.156754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.156754 (E_RNA)
where:
Base-Base interactions energy: -158.751
where: short stacking energy: -68.428
Base-Backbone interact. energy: -0.374
local terms energy: -75.032208
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -235.849393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.849393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.849393 (E_RNA)
where:
Base-Base interactions energy: -165.147
where: short stacking energy: -74.357
Base-Backbone interact. energy: -0.071
local terms energy: -70.631017
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -226.602247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.602247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.602247 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.053
local terms energy: -75.412777
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -222.983417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.983417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.983417 (E_RNA)
where:
Base-Base interactions energy: -150.761
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.002
local terms energy: -72.220658
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.926
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: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -215.685415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.685415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.685415 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.105
local terms energy: -71.909585
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -16.437
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: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -170.796186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.796186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.796186 (E_RNA)
where:
Base-Base interactions energy: -114.549
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.234
local terms energy: -56.013305
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -7.653
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -144.745845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.745845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.745845 (E_RNA)
where:
Base-Base interactions energy: -81.951
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.133
local terms energy: -62.661344
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -12.284
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: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -75.124928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.124928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.124928 (E_RNA)
where:
Base-Base interactions energy: -20.389
where: short stacking energy: -19.047
Base-Backbone interact. energy: 0.245
local terms energy: -54.980716
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -80.025879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.025879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.025879 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -27.310
Base-Backbone interact. energy: -0.040
local terms energy: -51.305840
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -8.523
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: 368
Temperature: 0.900000
Total energy: -244.168580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.168580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.168580 (E_RNA)
where:
Base-Base interactions energy: -165.353
where: short stacking energy: -72.680
Base-Backbone interact. energy: -0.003
local terms energy: -78.812765
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.827
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: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -237.111954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.111954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.111954 (E_RNA)
where:
Base-Base interactions energy: -162.311
where: short stacking energy: -67.916
Base-Backbone interact. energy: -0.057
local terms energy: -74.744441
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -236.715282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.715282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.715282 (E_RNA)
where:
Base-Base interactions energy: -158.608
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.006
local terms energy: -78.101558
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -229.669434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.669434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.669434 (E_RNA)
where:
Base-Base interactions energy: -150.812
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.051
local terms energy: -78.806527
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.587
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: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -218.898729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.898729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.898729 (E_RNA)
where:
Base-Base interactions energy: -142.821
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.210
local terms energy: -75.867314
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -216.236457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236457 (E_RNA)
where:
Base-Base interactions energy: -145.430
where: short stacking energy: -61.152
Base-Backbone interact. energy: 0.350
local terms energy: -71.155843
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -5.531
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: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -182.461736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461736 (E_RNA)
where:
Base-Base interactions energy: -124.245
where: short stacking energy: -56.741
Base-Backbone interact. energy: -1.181
local terms energy: -57.036045
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.688
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: 368
Temperature: 1.250000
Total energy: -165.492009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.492009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.492009 (E_RNA)
where:
Base-Base interactions energy: -106.392
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.111
local terms energy: -58.989169
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.020
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: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -80.706803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.706803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.706803 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.186
local terms energy: -48.184620
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -87.318938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.318938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.318938 (E_RNA)
where:
Base-Base interactions energy: -33.456
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.012
local terms energy: -53.850621
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -233.547898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.547898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547898 (E_RNA)
where:
Base-Base interactions energy: -161.227
where: short stacking energy: -59.412
Base-Backbone interact. energy: 0.361
local terms energy: -72.682675
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -240.930680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.930680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.930680 (E_RNA)
where:
Base-Base interactions energy: -161.247
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.190
local terms energy: -79.494507
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -21.361
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: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -240.490568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.490568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.490568 (E_RNA)
where:
Base-Base interactions energy: -160.758
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.126
local terms energy: -79.606546
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -223.208242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208242 (E_RNA)
where:
Base-Base interactions energy: -152.353
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.073
local terms energy: -70.782124
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -221.936180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.936180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.936180 (E_RNA)
where:
Base-Base interactions energy: -149.115
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.014
local terms energy: -72.807213
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.800
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -215.058912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.058912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.058912 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.165
local terms energy: -77.088923
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -211.410844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.410844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.410844 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.332
local terms energy: -67.082133
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -8.625
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -176.805916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.805916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.805916 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.438
local terms energy: -59.387779
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.353
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: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -82.186153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186153 (E_RNA)
where:
Base-Base interactions energy: -39.216
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.148
local terms energy: -42.821729
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -75.895113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.895113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.895113 (E_RNA)
where:
Base-Base interactions energy: -24.422
where: short stacking energy: -24.422
Base-Backbone interact. energy: 0.150
local terms energy: -51.622234
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -2.075
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -238.442395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.442395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.442395 (E_RNA)
where:
Base-Base interactions energy: -158.206
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.211
local terms energy: -80.025974
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -232.888911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.888911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.888911 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.003
local terms energy: -76.427869
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -235.584163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.584163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.584163 (E_RNA)
where:
Base-Base interactions energy: -157.561
where: short stacking energy: -62.988
Base-Backbone interact. energy: 0.135
local terms energy: -78.158673
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -21.112
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: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -225.057541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057541 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.051
local terms energy: -77.290398
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.680
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: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -222.275064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.275064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.275064 (E_RNA)
where:
Base-Base interactions energy: -153.846
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.132
local terms energy: -68.296227
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -16.943
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: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -222.066040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.066040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.066040 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -65.402
Base-Backbone interact. energy: -0.009
local terms energy: -80.711648
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -220.517323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.517323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.517323 (E_RNA)
where:
Base-Base interactions energy: -156.115
where: short stacking energy: -70.248
Base-Backbone interact. energy: 0.190
local terms energy: -64.591819
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -8.083
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: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -143.273970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.273970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.273970 (E_RNA)
where:
Base-Base interactions energy: -90.601
where: short stacking energy: -41.458
Base-Backbone interact. energy: -0.482
local terms energy: -52.191762
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -5.189
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: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -80.096582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096582 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.273
local terms energy: -46.532707
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -78.199355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.199355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.199355 (E_RNA)
where:
Base-Base interactions energy: -24.173
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.120
local terms energy: -53.906900
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -242.493300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.493300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.493300 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.024
local terms energy: -79.668676
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -230.517790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.517790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.517790 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.065
local terms energy: -71.076044
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -231.175146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.175146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.175146 (E_RNA)
where:
Base-Base interactions energy: -155.722
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.010
local terms energy: -75.443853
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -20.037
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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -219.952817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.952817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.952817 (E_RNA)
where:
Base-Base interactions energy: -149.569
where: short stacking energy: -60.701
Base-Backbone interact. energy: 0.994
local terms energy: -71.377723
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -217.958359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.958359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.958359 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.096
local terms energy: -68.545342
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -18.352
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -218.653090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.653090 (E_RNA)
where:
Base-Base interactions energy: -140.152
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.153
local terms energy: -78.348311
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -20.877
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: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -202.210357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.210357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.210357 (E_RNA)
where:
Base-Base interactions energy: -138.712
where: short stacking energy: -59.025
Base-Backbone interact. energy: -0.001
local terms energy: -63.497523
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -130.206630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.206630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.206630 (E_RNA)
where:
Base-Base interactions energy: -79.191
where: short stacking energy: -33.183
Base-Backbone interact. energy: 0.846
local terms energy: -51.861288
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -99.997997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.997997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.997997 (E_RNA)
where:
Base-Base interactions energy: -51.871
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.210
local terms energy: -47.916595
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -75.773660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.773660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.773660 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.524
local terms energy: -43.719709
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -248.942775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.942775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.942775 (E_RNA)
where:
Base-Base interactions energy: -171.415
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.008
local terms energy: -77.520322
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -10.924
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: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -236.912258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912258 (E_RNA)
where:
Base-Base interactions energy: -153.057
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.003
local terms energy: -83.852555
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -226.341390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.341390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.341390 (E_RNA)
where:
Base-Base interactions energy: -150.636
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.101
local terms energy: -75.604704
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -229.911718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911718 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.624
local terms energy: -77.369906
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -224.354802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.354802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.354802 (E_RNA)
where:
Base-Base interactions energy: -155.468
where: short stacking energy: -63.124
Base-Backbone interact. energy: -0.389
local terms energy: -68.497910
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -214.847382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847382 (E_RNA)
where:
Base-Base interactions energy: -142.455
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.071
local terms energy: -72.322021
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -18.318
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: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -216.648659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648659 (E_RNA)
where:
Base-Base interactions energy: -149.218
where: short stacking energy: -64.700
Base-Backbone interact. energy: -0.132
local terms energy: -67.298883
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -136.542273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.542273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.542273 (E_RNA)
where:
Base-Base interactions energy: -77.642
where: short stacking energy: -35.221
Base-Backbone interact. energy: -0.127
local terms energy: -58.773138
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -120.030095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.030095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.030095 (E_RNA)
where:
Base-Base interactions energy: -70.112
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.039
local terms energy: -49.879319
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -5.829
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: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -90.223018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.223018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.223018 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -37.243
Base-Backbone interact. energy: -0.025
local terms energy: -52.954561
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -236.595816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.595816 (E_RNA)
where:
Base-Base interactions energy: -154.984
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.100
local terms energy: -81.511863
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -19.687
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: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -231.525724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525724 (E_RNA)
where:
Base-Base interactions energy: -152.079
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.094
local terms energy: -79.353072
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -221.288863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.288863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.288863 (E_RNA)
where:
Base-Base interactions energy: -146.798
where: short stacking energy: -62.843
Base-Backbone interact. energy: -0.012
local terms energy: -74.479048
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -18.280
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: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -229.020047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.020047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.020047 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.005
local terms energy: -75.978827
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -18.650
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -223.238419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.238419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.238419 (E_RNA)
where:
Base-Base interactions energy: -146.235
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.006
local terms energy: -76.997719
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.701
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: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -210.796833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.796833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.796833 (E_RNA)
where:
Base-Base interactions energy: -143.695
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.699
local terms energy: -66.402299
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -17.160
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: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -212.119220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119220 (E_RNA)
where:
Base-Base interactions energy: -141.519
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.009
local terms energy: -70.591488
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.843
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: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -146.540320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.540320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.540320 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -43.692
Base-Backbone interact. energy: -0.139
local terms energy: -55.469581
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -77.566824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.566824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.566824 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.161
local terms energy: -48.011583
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -9.102
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -82.182079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182079 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -25.714
Base-Backbone interact. energy: -1.075
local terms energy: -55.028357
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -5.741
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: 374
Temperature: 0.900000
Total energy: -235.694592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.694592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.694592 (E_RNA)
where:
Base-Base interactions energy: -153.734
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.003
local terms energy: -81.957656
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -236.464880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.464880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.464880 (E_RNA)
where:
Base-Base interactions energy: -159.524
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.469
local terms energy: -76.471768
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -7.018
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -19.810
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: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -224.556117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.556117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.556117 (E_RNA)
where:
Base-Base interactions energy: -157.347
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.012
local terms energy: -67.196988
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -221.953881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.953881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.953881 (E_RNA)
where:
Base-Base interactions energy: -150.123
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.013
local terms energy: -71.817562
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -217.738539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.738539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.738539 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -63.970
Base-Backbone interact. energy: -0.424
local terms energy: -69.270884
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -209.389770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.389770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.389770 (E_RNA)
where:
Base-Base interactions energy: -146.724
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.073
local terms energy: -62.592782
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -17.796
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: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -216.559686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.559686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.559686 (E_RNA)
where:
Base-Base interactions energy: -146.514
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.002
local terms energy: -70.043803
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -11.958
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: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -153.325663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.325663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.325663 (E_RNA)
where:
Base-Base interactions energy: -92.353
where: short stacking energy: -46.927
Base-Backbone interact. energy: -0.394
local terms energy: -60.579388
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -12.632
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -91.599731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.599731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.599731 (E_RNA)
where:
Base-Base interactions energy: -30.135
where: short stacking energy: -30.135
Base-Backbone interact. energy: -0.921
local terms energy: -60.544403
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.808774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808774 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -22.955
Base-Backbone interact. energy: -0.304
local terms energy: -47.347499
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -237.119307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.119307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.119307 (E_RNA)
where:
Base-Base interactions energy: -159.152
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.001
local terms energy: -77.966871
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -230.652822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.652822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.652822 (E_RNA)
where:
Base-Base interactions energy: -150.722
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.001
local terms energy: -79.930369
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -227.800429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.800429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.800429 (E_RNA)
where:
Base-Base interactions energy: -152.860
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.299
local terms energy: -74.641300
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -15.561
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: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -224.030795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030795 (E_RNA)
where:
Base-Base interactions energy: -153.976
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.005
local terms energy: -70.049959
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -17.979
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -224.514548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.514548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514548 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.303
local terms energy: -70.402512
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -221.917743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917743 (E_RNA)
where:
Base-Base interactions energy: -150.059
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.001
local terms energy: -71.858136
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.520
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: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -211.078694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078694 (E_RNA)
where:
Base-Base interactions energy: -140.297
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.243
local terms energy: -70.539258
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -18.100
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -135.189349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.189349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.189349 (E_RNA)
where:
Base-Base interactions energy: -84.580
where: short stacking energy: -42.929
Base-Backbone interact. energy: 0.098
local terms energy: -50.708080
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.026
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: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -79.793172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.793172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.793172 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.081
local terms energy: -49.123326
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -82.164163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.164163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.164163 (E_RNA)
where:
Base-Base interactions energy: -33.627
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.817
local terms energy: -47.719762
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -233.536196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.536196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.536196 (E_RNA)
where:
Base-Base interactions energy: -155.459
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.583
local terms energy: -77.493791
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -236.933680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.933680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.933680 (E_RNA)
where:
Base-Base interactions energy: -156.735
where: short stacking energy: -70.057
Base-Backbone interact. energy: -0.000
local terms energy: -80.198343
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -229.752512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.752512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.752512 (E_RNA)
where:
Base-Base interactions energy: -159.730
where: short stacking energy: -59.282
Base-Backbone interact. energy: 0.968
local terms energy: -70.990227
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -223.419040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.419040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.419040 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -65.062
Base-Backbone interact. energy: 1.274
local terms energy: -70.871027
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -222.168734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168734 (E_RNA)
where:
Base-Base interactions energy: -150.114
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.115
local terms energy: -71.939406
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -16.023
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: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -212.535068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.535068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.535068 (E_RNA)
where:
Base-Base interactions energy: -149.201
where: short stacking energy: -61.233
Base-Backbone interact. energy: 0.013
local terms energy: -63.346508
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -16.158
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: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -223.842190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.842190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.842190 (E_RNA)
where:
Base-Base interactions energy: -160.053
where: short stacking energy: -62.773
Base-Backbone interact. energy: 0.155
local terms energy: -63.943378
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -124.691142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.691142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.691142 (E_RNA)
where:
Base-Base interactions energy: -75.775
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.306
local terms energy: -48.609472
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -1.233
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: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -81.807077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807077 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -24.809
Base-Backbone interact. energy: -0.081
local terms energy: -51.181733
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -0.274
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: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -78.219948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.219948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.219948 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -15.676
Base-Backbone interact. energy: -0.486
local terms energy: -35.863584
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: 3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -245.648438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.648438 (E_RNA)
where:
Base-Base interactions energy: -165.639
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.001
local terms energy: -80.007681
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -235.696255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.696255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.696255 (E_RNA)
where:
Base-Base interactions energy: -156.373
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.001
local terms energy: -79.322036
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -223.037336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.037336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.037336 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -68.762
Base-Backbone interact. energy: 1.920
local terms energy: -69.601261
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -219.919277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919277 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.082
local terms energy: -75.639596
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.928
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -219.881022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.881022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.881022 (E_RNA)
where:
Base-Base interactions energy: -155.336
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.245
local terms energy: -64.300623
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -226.216927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.216927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.216927 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.076
local terms energy: -76.146637
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -18.893
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: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -187.516479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.516479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516479 (E_RNA)
where:
Base-Base interactions energy: -132.771
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.028
local terms energy: -54.717702
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -96.806932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.806932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.806932 (E_RNA)
where:
Base-Base interactions energy: -44.899
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.060
local terms energy: -51.847705
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -8.089
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: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -132.041674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.041674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.041674 (E_RNA)
where:
Base-Base interactions energy: -75.121
where: short stacking energy: -32.092
Base-Backbone interact. energy: 0.548
local terms energy: -57.468561
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -80.761243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.761243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.761243 (E_RNA)
where:
Base-Base interactions energy: -34.800
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.268
local terms energy: -45.693047
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: 0.813
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -239.058978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.058978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.058978 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.377
local terms energy: -78.819991
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -230.555415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.555415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.555415 (E_RNA)
where:
Base-Base interactions energy: -151.404
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.023
local terms energy: -79.127876
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -227.701609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.701609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.701609 (E_RNA)
where:
Base-Base interactions energy: -148.785
where: short stacking energy: -58.525
Base-Backbone interact. energy: -0.003
local terms energy: -78.913535
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -20.850
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: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -228.411294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.411294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.411294 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.095
local terms energy: -76.144409
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.545
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: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -225.303813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.303813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.303813 (E_RNA)
where:
Base-Base interactions energy: -151.803
where: short stacking energy: -69.044
Base-Backbone interact. energy: -0.176
local terms energy: -73.324203
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -222.069231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.069231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.069231 (E_RNA)
where:
Base-Base interactions energy: -156.168
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.496
local terms energy: -65.404949
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -162.497621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.497621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.497621 (E_RNA)
where:
Base-Base interactions energy: -103.453
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.669
local terms energy: -58.375756
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -101.081976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.081976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.081976 (E_RNA)
where:
Base-Base interactions energy: -40.923
where: short stacking energy: -36.799
Base-Backbone interact. energy: 0.817
local terms energy: -60.975063
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -145.527234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.527234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.527234 (E_RNA)
where:
Base-Base interactions energy: -95.307
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.337
local terms energy: -49.883017
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -77.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.470632 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -16.988
Base-Backbone interact. energy: -0.497
local terms energy: -45.136596
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: 0.891
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -239.213203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.213203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.213203 (E_RNA)
where:
Base-Base interactions energy: -159.539
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.035
local terms energy: -79.639590
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -237.625616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.625616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.625616 (E_RNA)
where:
Base-Base interactions energy: -160.281
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.001
local terms energy: -77.343155
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -233.412281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.412281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.412281 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.065
local terms energy: -77.207061
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -20.815
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -217.143118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.143118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.143118 (E_RNA)
where:
Base-Base interactions energy: -146.599
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.124
local terms energy: -70.420214
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -13.716
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -225.129664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129664 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.001
local terms energy: -73.071325
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -19.248
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: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -216.549893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.549893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.549893 (E_RNA)
where:
Base-Base interactions energy: -143.442
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.836
local terms energy: -72.272004
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -20.520
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: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -144.415523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.415523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.415523 (E_RNA)
where:
Base-Base interactions energy: -91.761
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.007
local terms energy: -52.647781
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -138.924820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.924820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.924820 (E_RNA)
where:
Base-Base interactions energy: -82.850
where: short stacking energy: -40.092
Base-Backbone interact. energy: -0.030
local terms energy: -56.044888
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -72.537324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.537324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.537324 (E_RNA)
where:
Base-Base interactions energy: -20.736
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.160
local terms energy: -51.641592
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: 2.838
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: 379
Temperature: 1.350000
Total energy: -74.529287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.529287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.529287 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -29.879
Base-Backbone interact. energy: -0.123
local terms energy: -44.593535
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -231.828405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828405 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -64.869
Base-Backbone interact. energy: 0.052
local terms energy: -76.113817
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -8.930
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: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -230.193387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.193387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.193387 (E_RNA)
where:
Base-Base interactions energy: -159.450
where: short stacking energy: -73.023
Base-Backbone interact. energy: -0.025
local terms energy: -70.718729
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.402
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: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -233.374075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374075 (E_RNA)
where:
Base-Base interactions energy: -156.104
where: short stacking energy: -73.834
Base-Backbone interact. energy: -0.001
local terms energy: -77.268583
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -226.281949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.281949 (E_RNA)
where:
Base-Base interactions energy: -151.961
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.372
local terms energy: -73.948705
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -22.643
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: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -225.077064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.077064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.077064 (E_RNA)
where:
Base-Base interactions energy: -151.199
where: short stacking energy: -71.617
Base-Backbone interact. energy: 0.551
local terms energy: -74.429438
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -219.801965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.801965 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.179
local terms energy: -66.423751
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -7.643
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: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -134.717245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.717245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.717245 (E_RNA)
where:
Base-Base interactions energy: -80.787
where: short stacking energy: -41.003
Base-Backbone interact. energy: 0.807
local terms energy: -54.736357
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.705
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: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -153.478950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.478950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.478950 (E_RNA)
where:
Base-Base interactions energy: -102.214
where: short stacking energy: -52.544
Base-Backbone interact. energy: 0.343
local terms energy: -51.608153
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -6.043
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: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -126.637106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.637106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.637106 (E_RNA)
where:
Base-Base interactions energy: -68.442
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.004
local terms energy: -58.191147
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -73.693451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.693451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.693451 (E_RNA)
where:
Base-Base interactions energy: -23.758
where: short stacking energy: -23.159
Base-Backbone interact. energy: -0.363
local terms energy: -49.572082
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -233.812128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.812128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812128 (E_RNA)
where:
Base-Base interactions energy: -154.969
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.007
local terms energy: -78.836546
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.682
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: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -231.294094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.294094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.294094 (E_RNA)
where:
Base-Base interactions energy: -149.732
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.016
local terms energy: -81.546314
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -22.311
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -228.528374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.528374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.528374 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.074
local terms energy: -77.110916
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -17.066
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -219.918007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.918007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.918007 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.070
local terms energy: -72.612868
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -225.136166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.136166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.136166 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -61.637
Base-Backbone interact. energy: -0.022
local terms energy: -77.869685
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -19.847
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -217.988589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.988589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.988589 (E_RNA)
where:
Base-Base interactions energy: -152.221
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.045
local terms energy: -65.722947
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.248
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: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -119.256881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.256881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.256881 (E_RNA)
where:
Base-Base interactions energy: -61.865
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.184
local terms energy: -57.207710
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -2.986
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: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -147.420242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.420242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.420242 (E_RNA)
where:
Base-Base interactions energy: -92.253
where: short stacking energy: -41.318
Base-Backbone interact. energy: -0.251
local terms energy: -54.916112
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -9.534
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: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -119.761039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.761039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.761039 (E_RNA)
where:
Base-Base interactions energy: -72.675
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.190
local terms energy: -46.896154
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -81.614411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.614411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.614411 (E_RNA)
where:
Base-Base interactions energy: -28.947
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.102
local terms energy: -52.566000
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -237.452628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.452628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.452628 (E_RNA)
where:
Base-Base interactions energy: -155.648
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.101
local terms energy: -81.704167
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -234.389176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.389176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.389176 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.060
local terms energy: -74.825663
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -229.232585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.232585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.232585 (E_RNA)
where:
Base-Base interactions energy: -159.341
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.047
local terms energy: -69.845087
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -20.871
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -227.889420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.889420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.889420 (E_RNA)
where:
Base-Base interactions energy: -153.654
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.004
local terms energy: -74.230812
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -20.872
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: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -216.203785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.203785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.203785 (E_RNA)
where:
Base-Base interactions energy: -144.033
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.086
local terms energy: -72.084292
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -208.952481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952481 (E_RNA)
where:
Base-Base interactions energy: -141.185
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.003
local terms energy: -67.764475
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -155.059120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.059120 (E_RNA)
where:
Base-Base interactions energy: -90.839
where: short stacking energy: -47.359
Base-Backbone interact. energy: -0.085
local terms energy: -64.135187
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -12.609
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -141.194170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.194170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.194170 (E_RNA)
where:
Base-Base interactions energy: -91.773
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.805
local terms energy: -48.616459
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -121.078659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.078659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.078659 (E_RNA)
where:
Base-Base interactions energy: -78.983
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.177
local terms energy: -41.918691
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -2.259
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.536792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.536792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.536792 (E_RNA)
where:
Base-Base interactions energy: -24.469
where: short stacking energy: -20.027
Base-Backbone interact. energy: -0.279
local terms energy: -51.788617
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -242.772895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.772895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.772895 (E_RNA)
where:
Base-Base interactions energy: -170.702
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.435
local terms energy: -71.635692
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -241.034720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.034720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.034720 (E_RNA)
where:
Base-Base interactions energy: -163.621
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.039
local terms energy: -77.374753
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -227.082068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.082068 (E_RNA)
where:
Base-Base interactions energy: -148.099
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.005
local terms energy: -78.977392
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -228.146445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.146445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.146445 (E_RNA)
where:
Base-Base interactions energy: -151.288
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.018
local terms energy: -76.839896
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -18.776
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -207.637496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.637496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.637496 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.013
local terms energy: -68.403536
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.082
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: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -215.360556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360556 (E_RNA)
where:
Base-Base interactions energy: -142.816
where: short stacking energy: -64.979
Base-Backbone interact. energy: -0.034
local terms energy: -72.509657
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -145.823607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.823607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.823607 (E_RNA)
where:
Base-Base interactions energy: -75.179
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.939
local terms energy: -69.705742
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -113.242516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.242516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.242516 (E_RNA)
where:
Base-Base interactions energy: -60.295
where: short stacking energy: -33.565
Base-Backbone interact. energy: -0.208
local terms energy: -52.740114
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.384
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: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -110.847322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.847322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.847322 (E_RNA)
where:
Base-Base interactions energy: -57.936
where: short stacking energy: -24.741
Base-Backbone interact. energy: 2.778
local terms energy: -55.689358
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -85.278259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.278259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.278259 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -30.584
Base-Backbone interact. energy: 0.630
local terms energy: -47.405109
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -2.665
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -244.809997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.809997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.809997 (E_RNA)
where:
Base-Base interactions energy: -166.677
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.008
local terms energy: -78.125528
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -240.322132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.322132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.322132 (E_RNA)
where:
Base-Base interactions energy: -163.218
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.026
local terms energy: -77.078013
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -20.877
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -232.432666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.432666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.432666 (E_RNA)
where:
Base-Base interactions energy: -154.529
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.051
local terms energy: -77.852382
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -223.870118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.870118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.870118 (E_RNA)
where:
Base-Base interactions energy: -144.223
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.004
local terms energy: -79.642953
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -225.788949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788949 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.007
local terms energy: -74.636540
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -217.110659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.110659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.110659 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.210
local terms energy: -70.676161
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -167.371257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.371257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.371257 (E_RNA)
where:
Base-Base interactions energy: -105.911
where: short stacking energy: -43.096
Base-Backbone interact. energy: 0.375
local terms energy: -61.834623
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -8.698
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: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -96.861253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.861253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.861253 (E_RNA)
where:
Base-Base interactions energy: -45.110
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.203
local terms energy: -51.547904
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -5.618
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: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -75.916113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.916113 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -21.158
Base-Backbone interact. energy: -0.800
local terms energy: -43.380887
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -77.222094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.222094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.222094 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -16.424
Base-Backbone interact. energy: -0.346
local terms energy: -46.962625
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -238.813183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.813183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.813183 (E_RNA)
where:
Base-Base interactions energy: -158.429
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.101
local terms energy: -80.283324
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -232.807640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.807640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.807640 (E_RNA)
where:
Base-Base interactions energy: -158.424
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.091
local terms energy: -74.293532
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -23.558
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: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -229.948214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.948214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.948214 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.001
local terms energy: -72.255671
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -222.394228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.394228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.394228 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.112
local terms energy: -74.827251
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -218.689506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689506 (E_RNA)
where:
Base-Base interactions energy: -148.146
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.091
local terms energy: -70.452946
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.958
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: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -211.181774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181774 (E_RNA)
where:
Base-Base interactions energy: -144.706
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.201
local terms energy: -66.274823
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -154.896744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.896744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.896744 (E_RNA)
where:
Base-Base interactions energy: -92.396
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.265
local terms energy: -62.236074
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -85.782891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.782891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.782891 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -30.770
Base-Backbone interact. energy: -0.000
local terms energy: -55.012897
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -98.219890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.219890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.219890 (E_RNA)
where:
Base-Base interactions energy: -48.978
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.198
local terms energy: -49.044458
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -86.893304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893304 (E_RNA)
where:
Base-Base interactions energy: -31.744
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.264
local terms energy: -54.885657
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -239.563756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.563756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.563756 (E_RNA)
where:
Base-Base interactions energy: -163.720
where: short stacking energy: -71.304
Base-Backbone interact. energy: 0.174
local terms energy: -76.018044
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.980
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: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -238.876215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.876215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.876215 (E_RNA)
where:
Base-Base interactions energy: -159.757
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.021
local terms energy: -79.098658
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -229.980252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.980252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.980252 (E_RNA)
where:
Base-Base interactions energy: -158.928
where: short stacking energy: -65.912
Base-Backbone interact. energy: 0.064
local terms energy: -71.116423
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -228.856719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.856719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.856719 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.005
local terms energy: -80.097429
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -218.160414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.160414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.160414 (E_RNA)
where:
Base-Base interactions energy: -152.238
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.107
local terms energy: -65.814868
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -18.298
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -219.145627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.145627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.145627 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.218
local terms energy: -70.876936
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -163.384326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.384326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.384326 (E_RNA)
where:
Base-Base interactions energy: -95.971
where: short stacking energy: -45.446
Base-Backbone interact. energy: -0.013
local terms energy: -67.400694
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -94.438068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438068 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -40.892
Base-Backbone interact. energy: -0.001
local terms energy: -53.545809
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -94.047701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.047701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.047701 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.174
local terms energy: -48.622298
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -67.146132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.146132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.146132 (E_RNA)
where:
Base-Base interactions energy: -24.925
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.303
local terms energy: -41.918446
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -242.283969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.283969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.283969 (E_RNA)
where:
Base-Base interactions energy: -162.377
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.001
local terms energy: -79.905668
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -238.956216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.956216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.956216 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.143
local terms energy: -75.602954
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -19.773
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: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -223.974691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.974691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.974691 (E_RNA)
where:
Base-Base interactions energy: -151.811
where: short stacking energy: -64.432
Base-Backbone interact. energy: 0.600
local terms energy: -72.763120
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -225.884158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.884158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.884158 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.292
local terms energy: -75.565732
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -9.251
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -227.995640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.995640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.995640 (E_RNA)
where:
Base-Base interactions energy: -153.646
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.004
local terms energy: -74.345874
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -163.174279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.174279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.174279 (E_RNA)
where:
Base-Base interactions energy: -96.368
where: short stacking energy: -51.281
Base-Backbone interact. energy: -0.380
local terms energy: -66.426923
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.848
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: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -204.543019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.543019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.543019 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -60.916
Base-Backbone interact. energy: -0.075
local terms energy: -62.615644
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -19.024
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: 387
Temperature: 1.250000
Total energy: -83.012532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.012532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.012532 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.148
local terms energy: -38.539744
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -7.295
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -85.498373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.498373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.498373 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -29.797
Base-Backbone interact. energy: -0.108
local terms energy: -54.099469
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -67.527225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.527225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.527225 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -17.344
Base-Backbone interact. energy: -0.206
local terms energy: -43.032023
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: 1.220
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: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -238.219564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.219564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.219564 (E_RNA)
where:
Base-Base interactions energy: -161.569
where: short stacking energy: -69.669
Base-Backbone interact. energy: 0.383
local terms energy: -77.033261
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -234.732038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.732038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.732038 (E_RNA)
where:
Base-Base interactions energy: -152.763
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.007
local terms energy: -81.962080
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -227.871970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.871970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.871970 (E_RNA)
where:
Base-Base interactions energy: -154.639
where: short stacking energy: -75.643
Base-Backbone interact. energy: 0.363
local terms energy: -73.595503
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.947
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: 388
Temperature: 1.050000
Total energy: -227.691202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.691202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.691202 (E_RNA)
where:
Base-Base interactions energy: -151.670
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.056
local terms energy: -75.965327
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -19.029
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -222.905698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905698 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.064
local terms energy: -76.242210
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -154.902492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.902492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.902492 (E_RNA)
where:
Base-Base interactions energy: -91.850
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.714
local terms energy: -62.337940
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -13.329
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -166.953922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.953922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.953922 (E_RNA)
where:
Base-Base interactions energy: -102.260
where: short stacking energy: -48.135
Base-Backbone interact. energy: -0.097
local terms energy: -64.596918
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -13.012
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: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.101144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101144 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.172
local terms energy: -50.252573
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -80.869825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.869825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.869825 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.002
local terms energy: -48.751313
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -1.772
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -78.229620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.229620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.229620 (E_RNA)
where:
Base-Base interactions energy: -22.648
where: short stacking energy: -22.481
Base-Backbone interact. energy: -0.068
local terms energy: -55.513841
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: 2.963
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: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -242.516035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.516035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.516035 (E_RNA)
where:
Base-Base interactions energy: -160.860
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.007
local terms energy: -81.649080
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -21.862
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -233.083656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083656 (E_RNA)
where:
Base-Base interactions energy: -160.421
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.018
local terms energy: -72.644152
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.466
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: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -232.788159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.788159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.788159 (E_RNA)
where:
Base-Base interactions energy: -162.740
where: short stacking energy: -71.831
Base-Backbone interact. energy: 0.303
local terms energy: -70.350732
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.316
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: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -223.541342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.541342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.541342 (E_RNA)
where:
Base-Base interactions energy: -151.793
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.281
local terms energy: -71.466838
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -222.077092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.077092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.077092 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.002
local terms energy: -70.607368
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -162.540798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.540798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.540798 (E_RNA)
where:
Base-Base interactions energy: -102.689
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.141
local terms energy: -59.710527
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -150.529045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.529045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.529045 (E_RNA)
where:
Base-Base interactions energy: -98.772
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.228
local terms energy: -51.529326
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -82.954826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.954826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.954826 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -26.160
Base-Backbone interact. energy: 2.013
local terms energy: -52.355986
where:
bonds (distance) C4'-P energy: -6.200
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -82.144716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.144716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.144716 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.001
local terms energy: -51.088975
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -8.367
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -6.551
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: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -95.239764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.239764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.239764 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -31.764
Base-Backbone interact. energy: 0.318
local terms energy: -58.524502
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -6.565
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: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -229.927785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.927785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.927785 (E_RNA)
where:
Base-Base interactions energy: -154.355
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.272
local terms energy: -75.300770
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -17.694
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: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -240.858191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.858191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.858191 (E_RNA)
where:
Base-Base interactions energy: -164.288
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.048
local terms energy: -76.522991
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -223.113137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113137 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.767
local terms energy: -70.961863
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -226.104711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104711 (E_RNA)
where:
Base-Base interactions energy: -155.012
where: short stacking energy: -69.893
Base-Backbone interact. energy: -0.103
local terms energy: -70.989615
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -228.140579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.140579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.140579 (E_RNA)
where:
Base-Base interactions energy: -158.691
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.084
local terms energy: -69.365425
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -207.674739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.674739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.674739 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -63.445
Base-Backbone interact. energy: -0.511
local terms energy: -73.998946
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -158.925708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.925708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.925708 (E_RNA)
where:
Base-Base interactions energy: -107.083
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.152
local terms energy: -51.691390
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -5.205
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -7.627
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: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -92.401461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401461 (E_RNA)
where:
Base-Base interactions energy: -37.680
where: short stacking energy: -37.680
Base-Backbone interact. energy: -0.020
local terms energy: -54.701990
where:
bonds (distance) C4'-P energy: -5.661
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.260
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: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.202085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.202085 (E_RNA)
where:
Base-Base interactions energy: -31.108
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.040
local terms energy: -47.054929
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -76.116805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.116805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.116805 (E_RNA)
where:
Base-Base interactions energy: -20.679
where: short stacking energy: -18.890
Base-Backbone interact. energy: -0.725
local terms energy: -54.713489
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -240.322337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.322337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.322337 (E_RNA)
where:
Base-Base interactions energy: -159.759
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.001
local terms energy: -80.561976
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -238.868926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.868926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.868926 (E_RNA)
where:
Base-Base interactions energy: -166.490
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.002
local terms energy: -72.377093
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -232.353128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.353128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.353128 (E_RNA)
where:
Base-Base interactions energy: -157.013
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.130
local terms energy: -75.210481
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -7.742
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -218.622083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.622083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.622083 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.000
local terms energy: -72.934261
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -224.327094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.327094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.327094 (E_RNA)
where:
Base-Base interactions energy: -155.172
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.001
local terms energy: -69.154540
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -220.675716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.675716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.675716 (E_RNA)
where:
Base-Base interactions energy: -147.251
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.001
local terms energy: -73.423721
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -158.557754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.557754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.557754 (E_RNA)
where:
Base-Base interactions energy: -94.794
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.017
local terms energy: -63.746939
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -80.716912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.716912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.716912 (E_RNA)
where:
Base-Base interactions energy: -25.607
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.118
local terms energy: -54.992615
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -130.689663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.689663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.689663 (E_RNA)
where:
Base-Base interactions energy: -82.359
where: short stacking energy: -32.914
Base-Backbone interact. energy: 1.380
local terms energy: -49.711333
where:
bonds (distance) C4'-P energy: -5.771
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -5.880
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: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -75.059558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.059558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.059558 (E_RNA)
where:
Base-Base interactions energy: -27.808
where: short stacking energy: -24.271
Base-Backbone interact. energy: 0.750
local terms energy: -48.001498
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -239.136625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.136625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.136625 (E_RNA)
where:
Base-Base interactions energy: -160.970
where: short stacking energy: -74.749
Base-Backbone interact. energy: -0.027
local terms energy: -78.139102
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -232.846161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.846161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.846161 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.065
local terms energy: -72.636028
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -21.538
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: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -233.785384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.785384 (E_RNA)
where:
Base-Base interactions energy: -154.298
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.001
local terms energy: -79.486147
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -229.015251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.015251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.015251 (E_RNA)
where:
Base-Base interactions energy: -144.185
where: short stacking energy: -60.611
Base-Backbone interact. energy: -0.020
local terms energy: -84.810228
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -218.151697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.151697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.151697 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.023
local terms energy: -66.762535
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -18.860
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: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -219.204169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.204169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.204169 (E_RNA)
where:
Base-Base interactions energy: -153.750
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.129
local terms energy: -65.324813
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -159.031863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.031863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.031863 (E_RNA)
where:
Base-Base interactions energy: -100.516
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.225
local terms energy: -58.291068
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -75.562925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.562925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.562925 (E_RNA)
where:
Base-Base interactions energy: -22.850
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.153
local terms energy: -52.559933
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: 0.183
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: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -92.080282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.080282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.080282 (E_RNA)
where:
Base-Base interactions energy: -49.060
where: short stacking energy: -17.852
Base-Backbone interact. energy: -0.878
local terms energy: -42.142442
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -115.331487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.331487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.331487 (E_RNA)
where:
Base-Base interactions energy: -65.986
where: short stacking energy: -38.770
Base-Backbone interact. energy: 0.050
local terms energy: -49.395788
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -233.381022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.381022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.381022 (E_RNA)
where:
Base-Base interactions energy: -158.955
where: short stacking energy: -71.787
Base-Backbone interact. energy: -0.002
local terms energy: -74.424969
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -241.602274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.602274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.602274 (E_RNA)
where:
Base-Base interactions energy: -161.858
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.102
local terms energy: -79.642076
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -240.955685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.955685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.955685 (E_RNA)
where:
Base-Base interactions energy: -162.509
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.006
local terms energy: -78.440179
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -229.536658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.536658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.536658 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.651
local terms energy: -76.001819
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -22.298
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: 393
Temperature: 1.100000
Total energy: -223.543540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.543540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.543540 (E_RNA)
where:
Base-Base interactions energy: -146.712
where: short stacking energy: -68.245
Base-Backbone interact. energy: 0.498
local terms energy: -77.329735
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -217.087350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.087350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087350 (E_RNA)
where:
Base-Base interactions energy: -150.682
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.064
local terms energy: -66.340876
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -21.156
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: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -171.641370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.641370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.641370 (E_RNA)
where:
Base-Base interactions energy: -105.306
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.040
local terms energy: -66.295148
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -134.532459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.532459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.532459 (E_RNA)
where:
Base-Base interactions energy: -81.442
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.187
local terms energy: -52.903137
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -8.373
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -9.161
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: 393
Temperature: 1.300000
Total energy: -76.433950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.433950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.433950 (E_RNA)
where:
Base-Base interactions energy: -29.169
where: short stacking energy: -29.169
Base-Backbone interact. energy: -0.081
local terms energy: -47.183492
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -84.955217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.955217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.955217 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -22.778
Base-Backbone interact. energy: -0.225
local terms energy: -46.338578
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -237.603046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.603046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603046 (E_RNA)
where:
Base-Base interactions energy: -162.227
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.005
local terms energy: -75.370539
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -21.485
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -231.203734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.203734 (E_RNA)
where:
Base-Base interactions energy: -157.288
where: short stacking energy: -71.170
Base-Backbone interact. energy: -0.019
local terms energy: -73.896727
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -233.752994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.752994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.752994 (E_RNA)
where:
Base-Base interactions energy: -158.316
where: short stacking energy: -72.090
Base-Backbone interact. energy: -0.008
local terms energy: -75.429269
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -12.994
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: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -229.605411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.605411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.605411 (E_RNA)
where:
Base-Base interactions energy: -155.583
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.138
local terms energy: -73.884802
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -219.539801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539801 (E_RNA)
where:
Base-Base interactions energy: -144.372
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.002
local terms energy: -75.165614
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.306
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: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -220.343338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.343338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.343338 (E_RNA)
where:
Base-Base interactions energy: -147.449
where: short stacking energy: -56.601
Base-Backbone interact. energy: -0.033
local terms energy: -72.861413
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -16.892
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: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -214.622292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.622292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.622292 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -61.534
Base-Backbone interact. energy: 0.025
local terms energy: -64.928011
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -141.248937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.248937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.248937 (E_RNA)
where:
Base-Base interactions energy: -76.867
where: short stacking energy: -36.415
Base-Backbone interact. energy: 1.774
local terms energy: -66.155768
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.063607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.063607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.063607 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -23.168
Base-Backbone interact. energy: -1.272
local terms energy: -47.897627
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -83.413517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413517 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -33.077
Base-Backbone interact. energy: -0.420
local terms energy: -48.033257
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -235.770755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.770755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.770755 (E_RNA)
where:
Base-Base interactions energy: -168.595
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.153
local terms energy: -67.022870
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -236.772086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.772086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.772086 (E_RNA)
where:
Base-Base interactions energy: -158.710
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.046
local terms energy: -78.015633
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -227.752936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.752936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.752936 (E_RNA)
where:
Base-Base interactions energy: -156.068
where: short stacking energy: -69.727
Base-Backbone interact. energy: -0.046
local terms energy: -71.639157
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -18.684
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: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -230.059759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.059759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.059759 (E_RNA)
where:
Base-Base interactions energy: -157.156
where: short stacking energy: -75.256
Base-Backbone interact. energy: -0.109
local terms energy: -72.795118
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -19.838
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: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -222.521176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.521176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.521176 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.083
local terms energy: -69.104532
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -225.542350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.542350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.542350 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.028
local terms energy: -74.158709
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -209.956181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.956181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.956181 (E_RNA)
where:
Base-Base interactions energy: -134.324
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.022
local terms energy: -75.610086
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -113.597084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.597084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.597084 (E_RNA)
where:
Base-Base interactions energy: -53.871
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.130
local terms energy: -59.595796
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -149.894574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.894574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.894574 (E_RNA)
where:
Base-Base interactions energy: -89.666
where: short stacking energy: -41.974
Base-Backbone interact. energy: -0.297
local terms energy: -59.931507
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -72.705973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.705973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.705973 (E_RNA)
where:
Base-Base interactions energy: -26.144
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.425
local terms energy: -46.137250
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -243.352985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.352985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.352985 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -72.871
Base-Backbone interact. energy: -0.005
local terms energy: -83.107917
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -238.052350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.052350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.052350 (E_RNA)
where:
Base-Base interactions energy: -160.441
where: short stacking energy: -75.814
Base-Backbone interact. energy: -0.285
local terms energy: -77.326540
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -229.319655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.319655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.319655 (E_RNA)
where:
Base-Base interactions energy: -155.441
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.006
local terms energy: -73.871869
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -226.456596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.456596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.456596 (E_RNA)
where:
Base-Base interactions energy: -161.106
where: short stacking energy: -70.158
Base-Backbone interact. energy: -0.016
local terms energy: -65.334502
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -223.076401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.076401 (E_RNA)
where:
Base-Base interactions energy: -150.776
where: short stacking energy: -57.614
Base-Backbone interact. energy: -0.053
local terms energy: -72.247533
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -226.208796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.208796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.208796 (E_RNA)
where:
Base-Base interactions energy: -151.439
where: short stacking energy: -64.753
Base-Backbone interact. energy: -0.006
local terms energy: -74.763868
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -21.416
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -217.847335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.847335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.847335 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.427
local terms energy: -71.200931
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -94.483778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.483778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.483778 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -36.209
Base-Backbone interact. energy: -0.160
local terms energy: -57.286922
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -129.806318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.806318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.806318 (E_RNA)
where:
Base-Base interactions energy: -73.085
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.027
local terms energy: -56.693970
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -72.615541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.615541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.615541 (E_RNA)
where:
Base-Base interactions energy: -28.769
where: short stacking energy: -19.121
Base-Backbone interact. energy: 0.358
local terms energy: -44.204032
where:
bonds (distance) C4'-P energy: -7.257
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: 2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -240.560662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.560662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.560662 (E_RNA)
where:
Base-Base interactions energy: -163.923
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.307
local terms energy: -76.330920
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -238.396758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.396758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.396758 (E_RNA)
where:
Base-Base interactions energy: -156.797
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.033
local terms energy: -81.566674
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -223.586259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.586259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.586259 (E_RNA)
where:
Base-Base interactions energy: -147.382
where: short stacking energy: -60.096
Base-Backbone interact. energy: -1.360
local terms energy: -74.843524
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -20.779
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: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -224.733838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.733838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.733838 (E_RNA)
where:
Base-Base interactions energy: -150.095
where: short stacking energy: -64.042
Base-Backbone interact. energy: -0.063
local terms energy: -74.576371
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.160
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: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -218.549614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.549614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.549614 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.033
local terms energy: -68.178456
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -19.523
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -224.100960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.100960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.100960 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.006
local terms energy: -74.738909
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -210.295751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.295751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.295751 (E_RNA)
where:
Base-Base interactions energy: -142.261
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.003
local terms energy: -68.031926
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -93.476728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476728 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.318
local terms energy: -54.351344
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -4.976
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: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -79.314338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.314338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.314338 (E_RNA)
where:
Base-Base interactions energy: -28.942
where: short stacking energy: -28.120
Base-Backbone interact. energy: 0.715
local terms energy: -51.087080
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -85.212222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212222 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.179
local terms energy: -52.446702
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -6.179
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: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -241.010591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.010591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.010591 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.112
local terms energy: -82.083840
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -21.999
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -227.305974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.305974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.305974 (E_RNA)
where:
Base-Base interactions energy: -157.647
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.400
local terms energy: -69.258959
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -226.452759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.452759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.452759 (E_RNA)
where:
Base-Base interactions energy: -156.118
where: short stacking energy: -61.550
Base-Backbone interact. energy: -0.175
local terms energy: -70.159950
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -222.129213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.129213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.129213 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.006
local terms energy: -67.660573
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -19.285
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -216.104905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.104905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.104905 (E_RNA)
where:
Base-Base interactions energy: -141.552
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.327
local terms energy: -74.225153
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -20.351
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -207.031314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.031314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.031314 (E_RNA)
where:
Base-Base interactions energy: -135.518
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.101
local terms energy: -71.412245
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -205.242672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.242672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.242672 (E_RNA)
where:
Base-Base interactions energy: -137.536
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.063
local terms energy: -67.644189
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -4.936
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: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -85.932075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.932075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.932075 (E_RNA)
where:
Base-Base interactions energy: -33.947
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.206
local terms energy: -51.779257
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.720948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.720948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.720948 (E_RNA)
where:
Base-Base interactions energy: -28.792
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.769
local terms energy: -51.159876
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -89.359917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.359917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.359917 (E_RNA)
where:
Base-Base interactions energy: -47.554
where: short stacking energy: -18.708
Base-Backbone interact. energy: -0.130
local terms energy: -41.676148
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -232.442406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.442406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.442406 (E_RNA)
where:
Base-Base interactions energy: -157.850
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.882
local terms energy: -73.710538
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -245.520440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.520440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.520440 (E_RNA)
where:
Base-Base interactions energy: -167.709
where: short stacking energy: -64.596
Base-Backbone interact. energy: 0.331
local terms energy: -78.142494
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -19.698
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: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -221.556204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556204 (E_RNA)
where:
Base-Base interactions energy: -150.433
where: short stacking energy: -64.348
Base-Backbone interact. energy: -0.092
local terms energy: -71.031176
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -6.910
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: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -224.006456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.006456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.006456 (E_RNA)
where:
Base-Base interactions energy: -150.723
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.093
local terms energy: -73.190856
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -221.806785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.806785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.806785 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -65.492
Base-Backbone interact. energy: 2.145
local terms energy: -71.758945
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -225.636936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.636936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.636936 (E_RNA)
where:
Base-Base interactions energy: -158.133
where: short stacking energy: -70.194
Base-Backbone interact. energy: -0.056
local terms energy: -67.448163
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -199.010659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.010659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.010659 (E_RNA)
where:
Base-Base interactions energy: -129.025
where: short stacking energy: -59.364
Base-Backbone interact. energy: 0.205
local terms energy: -70.190684
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -86.285275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.285275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.285275 (E_RNA)
where:
Base-Base interactions energy: -30.427
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.169
local terms energy: -55.688810
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -79.250808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.250808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.250808 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.232
local terms energy: -53.302272
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -95.172759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.172759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.172759 (E_RNA)
where:
Base-Base interactions energy: -45.537
where: short stacking energy: -35.858
Base-Backbone interact. energy: 2.545
local terms energy: -52.180467
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -7.793
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -237.508655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.508655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.508655 (E_RNA)
where:
Base-Base interactions energy: -160.727
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.152
local terms energy: -76.630552
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -236.206520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.206520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.206520 (E_RNA)
where:
Base-Base interactions energy: -156.754
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.008
local terms energy: -79.444358
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -230.356936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.356936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.356936 (E_RNA)
where:
Base-Base interactions energy: -150.573
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.058
local terms energy: -79.725038
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -227.141146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141146 (E_RNA)
where:
Base-Base interactions energy: -152.394
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.588
local terms energy: -74.159167
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -21.317
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -220.856611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.856611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.856611 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.400
local terms energy: -76.811450
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -217.945089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945089 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.000
local terms energy: -74.191030
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -215.477339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.477339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.477339 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.010
local terms energy: -80.508542
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -13.194
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: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -92.972920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.972920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.972920 (E_RNA)
where:
Base-Base interactions energy: -39.814
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.215
local terms energy: -52.944032
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -83.307125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.307125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.307125 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -31.167
Base-Backbone interact. energy: -0.279
local terms energy: -50.973101
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.402
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: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -75.844305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.844305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.844305 (E_RNA)
where:
Base-Base interactions energy: -20.469
where: short stacking energy: -20.469
Base-Backbone interact. energy: -0.034
local terms energy: -55.341151
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -7.018
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: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -244.934336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.934336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.934336 (E_RNA)
where:
Base-Base interactions energy: -162.690
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.003
local terms energy: -82.240827
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -229.670384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.670384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.670384 (E_RNA)
where:
Base-Base interactions energy: -149.629
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.004
local terms energy: -80.037502
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -235.045159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.045159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.045159 (E_RNA)
where:
Base-Base interactions energy: -160.900
where: short stacking energy: -75.302
Base-Backbone interact. energy: 0.816
local terms energy: -74.960663
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -19.947
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -222.664651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.664651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.664651 (E_RNA)
where:
Base-Base interactions energy: -145.777
where: short stacking energy: -58.966
Base-Backbone interact. energy: 0.087
local terms energy: -76.975074
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -19.254
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: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -220.477482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477482 (E_RNA)
where:
Base-Base interactions energy: -154.122
where: short stacking energy: -67.332
Base-Backbone interact. energy: -0.242
local terms energy: -66.113383
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -213.089401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089401 (E_RNA)
where:
Base-Base interactions energy: -143.291
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.140
local terms energy: -69.659129
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -213.243924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.243924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.243924 (E_RNA)
where:
Base-Base interactions energy: -146.551
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.084
local terms energy: -66.609176
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -93.468702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.468702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.468702 (E_RNA)
where:
Base-Base interactions energy: -42.777
where: short stacking energy: -21.755
Base-Backbone interact. energy: -0.922
local terms energy: -49.769379
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -91.062007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.062007 (E_RNA)
where:
Base-Base interactions energy: -35.204
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.234
local terms energy: -55.624284
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -4.762
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: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -76.991044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991044 (E_RNA)
where:
Base-Base interactions energy: -27.052
where: short stacking energy: -25.792
Base-Backbone interact. energy: 1.547
local terms energy: -51.485529
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -236.899927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.899927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.899927 (E_RNA)
where:
Base-Base interactions energy: -156.406
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.239
local terms energy: -80.254911
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -19.557
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: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -236.682490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.682490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.682490 (E_RNA)
where:
Base-Base interactions energy: -156.437
where: short stacking energy: -70.154
Base-Backbone interact. energy: 0.077
local terms energy: -80.322435
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -235.743259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.743259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.743259 (E_RNA)
where:
Base-Base interactions energy: -153.927
where: short stacking energy: -70.923
Base-Backbone interact. energy: -0.024
local terms energy: -81.792808
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -22.061
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: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -228.386272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.386272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.386272 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -72.916
Base-Backbone interact. energy: -0.012
local terms energy: -71.893263
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -229.114555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.114555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.114555 (E_RNA)
where:
Base-Base interactions energy: -159.340
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.002
local terms energy: -69.771876
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -214.796177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.796177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.796177 (E_RNA)
where:
Base-Base interactions energy: -140.953
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.427
local terms energy: -73.415691
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -215.655418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.655418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.655418 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -63.334
Base-Backbone interact. energy: -0.292
local terms energy: -70.590653
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -89.299709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299709 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.305
local terms energy: -52.226952
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -76.879017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879017 (E_RNA)
where:
Base-Base interactions energy: -28.232
where: short stacking energy: -27.473
Base-Backbone interact. energy: -0.145
local terms energy: -48.502084
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -77.109193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.109193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.109193 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -24.660
Base-Backbone interact. energy: -0.100
local terms energy: -47.362667
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -240.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.345121 (E_RNA)
where:
Base-Base interactions energy: -159.557
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.005
local terms energy: -80.783644
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -236.993764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.993764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.993764 (E_RNA)
where:
Base-Base interactions energy: -159.594
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.001
local terms energy: -77.399640
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -22.950
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -234.502014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.502014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.502014 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.105
local terms energy: -72.031445
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -230.784846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.784846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.784846 (E_RNA)
where:
Base-Base interactions energy: -157.508
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.004
local terms energy: -73.273280
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.067
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: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -225.617666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.617666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.617666 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.058
local terms energy: -72.904125
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -17.594
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: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -219.548450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548450 (E_RNA)
where:
Base-Base interactions energy: -141.968
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.001
local terms energy: -77.579607
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -181.678325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.678325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.678325 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.492
local terms energy: -60.747042
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -6.593
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -117.787050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.787050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.787050 (E_RNA)
where:
Base-Base interactions energy: -63.004
where: short stacking energy: -38.365
Base-Backbone interact. energy: -0.047
local terms energy: -54.736502
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -76.409170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409170 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.111
local terms energy: -50.720184
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -5.946
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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -80.773474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.773474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.773474 (E_RNA)
where:
Base-Base interactions energy: -28.366
where: short stacking energy: -22.939
Base-Backbone interact. energy: -0.067
local terms energy: -52.340229
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -250.174258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.174258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.174258 (E_RNA)
where:
Base-Base interactions energy: -162.091
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.140
local terms energy: -87.943715
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -24.372
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -229.165376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.165376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.165376 (E_RNA)
where:
Base-Base interactions energy: -151.693
where: short stacking energy: -61.538
Base-Backbone interact. energy: -0.063
local terms energy: -77.409441
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -16.503
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -232.686753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.686753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.686753 (E_RNA)
where:
Base-Base interactions energy: -153.783
where: short stacking energy: -63.287
Base-Backbone interact. energy: 0.071
local terms energy: -78.974936
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -237.557084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.557084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.557084 (E_RNA)
where:
Base-Base interactions energy: -161.214
where: short stacking energy: -68.682
Base-Backbone interact. energy: 0.140
local terms energy: -76.483039
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -21.518
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: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -226.370611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.370611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.370611 (E_RNA)
where:
Base-Base interactions energy: -151.432
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.004
local terms energy: -74.934437
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -218.934662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.934662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.934662 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.064
local terms energy: -69.124419
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -143.435420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.435420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.435420 (E_RNA)
where:
Base-Base interactions energy: -85.178
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.089
local terms energy: -58.168885
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -7.406
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: 404
Temperature: 1.250000
Total energy: -124.153790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.153790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.153790 (E_RNA)
where:
Base-Base interactions energy: -69.502
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.122
local terms energy: -54.529743
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -87.682318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682318 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -34.212
Base-Backbone interact. energy: -0.088
local terms energy: -44.496638
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: 0.940
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -74.630262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.630262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.630262 (E_RNA)
where:
Base-Base interactions energy: -21.538
where: short stacking energy: -15.748
Base-Backbone interact. energy: -0.346
local terms energy: -52.746179
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -0.056
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -236.766356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.766356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.766356 (E_RNA)
where:
Base-Base interactions energy: -159.208
where: short stacking energy: -68.769
Base-Backbone interact. energy: -0.012
local terms energy: -77.546682
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -24.395
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -231.356774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.356774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.356774 (E_RNA)
where:
Base-Base interactions energy: -161.754
where: short stacking energy: -63.566
Base-Backbone interact. energy: 0.513
local terms energy: -70.115203
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -229.612258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.612258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.612258 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.075
local terms energy: -69.340923
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -15.181
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: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -226.554127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.554127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.554127 (E_RNA)
where:
Base-Base interactions energy: -153.651
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.095
local terms energy: -72.808494
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.991
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: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -225.427212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.427212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.427212 (E_RNA)
where:
Base-Base interactions energy: -154.260
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.028
local terms energy: -71.139276
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -209.868549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.868549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.868549 (E_RNA)
where:
Base-Base interactions energy: -151.617
where: short stacking energy: -62.258
Base-Backbone interact. energy: 1.507
local terms energy: -59.757884
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -7.084
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: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -170.702059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.702059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.702059 (E_RNA)
where:
Base-Base interactions energy: -100.448
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.004
local terms energy: -70.250461
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -15.934
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: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -91.150812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.150812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.150812 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.014
local terms energy: -47.582785
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -2.622
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: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -116.523828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.523828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.523828 (E_RNA)
where:
Base-Base interactions energy: -65.425
where: short stacking energy: -31.305
Base-Backbone interact. energy: -0.286
local terms energy: -50.812439
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -72.911152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.911152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.911152 (E_RNA)
where:
Base-Base interactions energy: -23.941
where: short stacking energy: -17.508
Base-Backbone interact. energy: -0.036
local terms energy: -48.933805
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -240.563131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.563131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.563131 (E_RNA)
where:
Base-Base interactions energy: -161.939
where: short stacking energy: -68.980
Base-Backbone interact. energy: -0.595
local terms energy: -78.029832
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -23.939
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: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -234.079449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.079449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.079449 (E_RNA)
where:
Base-Base interactions energy: -153.399
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.053
local terms energy: -80.627571
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -234.326905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.326905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.326905 (E_RNA)
where:
Base-Base interactions energy: -158.234
where: short stacking energy: -66.595
Base-Backbone interact. energy: -0.005
local terms energy: -76.088013
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -220.653381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.653381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.653381 (E_RNA)
where:
Base-Base interactions energy: -160.756
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.064
local terms energy: -59.832910
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -6.938
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: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -215.910701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.910701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.910701 (E_RNA)
where:
Base-Base interactions energy: -146.787
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.118
local terms energy: -69.006532
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -16.103
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: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -213.112978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112978 (E_RNA)
where:
Base-Base interactions energy: -144.409
where: short stacking energy: -57.117
Base-Backbone interact. energy: 0.285
local terms energy: -68.989099
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.180
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: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -196.292593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292593 (E_RNA)
where:
Base-Base interactions energy: -129.965
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.117
local terms energy: -66.211225
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -16.691
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -83.367163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367163 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -36.975
Base-Backbone interact. energy: -2.942
local terms energy: -42.237616
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -132.007104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.007104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.007104 (E_RNA)
where:
Base-Base interactions energy: -76.270
where: short stacking energy: -36.100
Base-Backbone interact. energy: -0.299
local terms energy: -55.438517
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -74.222588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.222588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.222588 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -27.155
Base-Backbone interact. energy: -0.138
local terms energy: -42.114856
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -236.383400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.383400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.383400 (E_RNA)
where:
Base-Base interactions energy: -156.906
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.482
local terms energy: -78.996244
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -241.623481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.623481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.623481 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -72.515
Base-Backbone interact. energy: 0.224
local terms energy: -82.354425
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -21.356
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: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -231.048457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.048457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.048457 (E_RNA)
where:
Base-Base interactions energy: -156.564
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.001
local terms energy: -74.483446
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -229.299637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.299637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.299637 (E_RNA)
where:
Base-Base interactions energy: -151.993
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.023
local terms energy: -77.283142
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -219.044731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.044731 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.060
local terms energy: -70.080389
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -16.228
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: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -214.463328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463328 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.615
local terms energy: -71.030070
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -214.633346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.633346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.633346 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.000
local terms energy: -67.325878
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -150.120872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.120872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.120872 (E_RNA)
where:
Base-Base interactions energy: -89.210
where: short stacking energy: -38.997
Base-Backbone interact. energy: -0.100
local terms energy: -60.811369
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -7.380
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: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -89.963678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.963678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.963678 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -25.373
Base-Backbone interact. energy: -0.041
local terms energy: -61.207687
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -8.537
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -11.319
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -130.069758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.069758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.069758 (E_RNA)
where:
Base-Base interactions energy: -76.661
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.003
local terms energy: -53.406487
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -238.847601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.847601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.847601 (E_RNA)
where:
Base-Base interactions energy: -161.018
where: short stacking energy: -62.626
Base-Backbone interact. energy: -0.005
local terms energy: -77.823986
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -19.835
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: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -236.480282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.480282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.480282 (E_RNA)
where:
Base-Base interactions energy: -155.041
where: short stacking energy: -70.993
Base-Backbone interact. energy: 0.585
local terms energy: -82.024595
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -234.523743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.523743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.523743 (E_RNA)
where:
Base-Base interactions energy: -162.221
where: short stacking energy: -72.669
Base-Backbone interact. energy: -0.008
local terms energy: -72.294682
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -228.240749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.240749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.240749 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.843
local terms energy: -74.611711
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -20.874
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -222.634295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.634295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.634295 (E_RNA)
where:
Base-Base interactions energy: -146.752
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.072
local terms energy: -75.810408
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -195.512626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.512626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.512626 (E_RNA)
where:
Base-Base interactions energy: -128.024
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.697
local terms energy: -66.791851
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -205.730657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.730657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.730657 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -51.442
Base-Backbone interact. energy: -0.052
local terms energy: -64.189719
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -17.194
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: 408
Temperature: 1.250000
Total energy: -148.554930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.554930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.554930 (E_RNA)
where:
Base-Base interactions energy: -87.396
where: short stacking energy: -34.325
Base-Backbone interact. energy: -0.067
local terms energy: -61.091753
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -145.541024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.541024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.541024 (E_RNA)
where:
Base-Base interactions energy: -89.936
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.202
local terms energy: -55.402899
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -81.383778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.383778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.383778 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.023
local terms energy: -50.067358
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -7.428
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -238.422539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.422539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.422539 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.572
local terms energy: -80.768451
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -243.081745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.081745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.081745 (E_RNA)
where:
Base-Base interactions energy: -163.310
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.076
local terms energy: -79.694998
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.743
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: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -225.651318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.651318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.651318 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -68.043
Base-Backbone interact. energy: -0.040
local terms energy: -77.219782
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -12.482
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: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -226.015329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.015329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.015329 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.662
local terms energy: -77.371975
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -235.299012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.299012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.299012 (E_RNA)
where:
Base-Base interactions energy: -160.466
where: short stacking energy: -74.569
Base-Backbone interact. energy: -0.037
local terms energy: -74.796691
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.244
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: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -196.376475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.376475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.376475 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.024
local terms energy: -56.392241
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -196.292146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292146 (E_RNA)
where:
Base-Base interactions energy: -126.603
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.206
local terms energy: -69.483723
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -131.125778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.125778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.125778 (E_RNA)
where:
Base-Base interactions energy: -87.202
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.407
local terms energy: -43.516563
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -5.382
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: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -140.856274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.856274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.856274 (E_RNA)
where:
Base-Base interactions energy: -90.094
where: short stacking energy: -39.767
Base-Backbone interact. energy: -0.209
local terms energy: -50.553103
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -82.680037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.680037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.680037 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.151
local terms energy: -44.991760
where:
bonds (distance) C4'-P energy: -5.913
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -1.703
tors. eta vs tors. theta energy: -9.294
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: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -240.567433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567433 (E_RNA)
where:
Base-Base interactions energy: -166.986
where: short stacking energy: -70.786
Base-Backbone interact. energy: -0.004
local terms energy: -73.577747
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -237.598635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.598635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.598635 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.056
local terms energy: -77.864781
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.656
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: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -230.801869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.801869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.801869 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.483
local terms energy: -74.062215
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -225.420023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.420023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.420023 (E_RNA)
where:
Base-Base interactions energy: -152.505
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.145
local terms energy: -72.770431
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.852
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: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -206.395611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.395611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.395611 (E_RNA)
where:
Base-Base interactions energy: -144.568
where: short stacking energy: -57.393
Base-Backbone interact. energy: 0.915
local terms energy: -62.742665
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -13.344
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: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -218.232594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.232594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.232594 (E_RNA)
where:
Base-Base interactions energy: -148.957
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.005
local terms energy: -69.270491
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -9.369
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: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -210.619895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.619895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.619895 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.164
local terms energy: -61.936099
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -14.046
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -88.971870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971870 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -36.740
Base-Backbone interact. energy: -0.063
local terms energy: -52.168797
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -6.201
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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -134.364109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.364109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.364109 (E_RNA)
where:
Base-Base interactions energy: -81.832
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.102
local terms energy: -52.430705
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -8.674
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: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.751610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.751610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.751610 (E_RNA)
where:
Base-Base interactions energy: -28.627
where: short stacking energy: -24.688
Base-Backbone interact. energy: -0.162
local terms energy: -54.961977
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -240.347053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.347053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.347053 (E_RNA)
where:
Base-Base interactions energy: -163.055
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.085
local terms energy: -77.207098
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -236.489844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.489844 (E_RNA)
where:
Base-Base interactions energy: -159.590
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.004
local terms energy: -76.895741
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -20.126
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: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -228.017760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.017760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.017760 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.042
local terms energy: -68.563854
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -18.395
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -220.333720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.333720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333720 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.244
local terms energy: -75.553836
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -216.539986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.539986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.539986 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.410
local terms energy: -67.561295
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.863
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -207.195649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.195649 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.002
local terms energy: -67.465191
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -215.296386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.296386 (E_RNA)
where:
Base-Base interactions energy: -144.379
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.003
local terms energy: -70.914194
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -16.918
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -118.641210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.641210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.641210 (E_RNA)
where:
Base-Base interactions energy: -58.622
where: short stacking energy: -25.591
Base-Backbone interact. energy: -0.102
local terms energy: -59.917066
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -79.050710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.050710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.050710 (E_RNA)
where:
Base-Base interactions energy: -29.810
where: short stacking energy: -19.006
Base-Backbone interact. energy: -0.834
local terms energy: -48.406293
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -72.577697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.577697 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.026
local terms energy: -39.287372
where:
bonds (distance) C4'-P energy: -4.515
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -241.269809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.269809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.269809 (E_RNA)
where:
Base-Base interactions energy: -157.935
where: short stacking energy: -74.229
Base-Backbone interact. energy: -0.177
local terms energy: -83.157952
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -20.612
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: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -237.967220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.967220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.967220 (E_RNA)
where:
Base-Base interactions energy: -156.742
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.001
local terms energy: -81.224377
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -11.996
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: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -234.907665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.907665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.907665 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.024
local terms energy: -76.679109
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -222.063168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063168 (E_RNA)
where:
Base-Base interactions energy: -151.229
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.082
local terms energy: -70.752378
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -18.420
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -223.233589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.233589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.233589 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.709
local terms energy: -69.665294
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -13.710
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -216.290415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.290415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.290415 (E_RNA)
where:
Base-Base interactions energy: -142.468
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.016
local terms energy: -73.806010
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -10.827
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -211.017108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017108 (E_RNA)
where:
Base-Base interactions energy: -150.142
where: short stacking energy: -56.203
Base-Backbone interact. energy: 0.739
local terms energy: -61.613938
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -15.908
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -121.324289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.324289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.324289 (E_RNA)
where:
Base-Base interactions energy: -73.473
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.238
local terms energy: -47.614216
where:
bonds (distance) C4'-P energy: -6.597
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -4.348
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: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.246214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.246214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.246214 (E_RNA)
where:
Base-Base interactions energy: -23.603
where: short stacking energy: -23.476
Base-Backbone interact. energy: -0.990
local terms energy: -54.653912
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -71.888311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.888311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.888311 (E_RNA)
where:
Base-Base interactions energy: -26.339
where: short stacking energy: -26.339
Base-Backbone interact. energy: 0.019
local terms energy: -45.567520
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -235.159754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.159754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.159754 (E_RNA)
where:
Base-Base interactions energy: -157.258
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.001
local terms energy: -77.900713
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -20.085
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: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -236.043709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.043709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.043709 (E_RNA)
where:
Base-Base interactions energy: -161.247
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.001
local terms energy: -74.795070
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -234.371123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.371123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.371123 (E_RNA)
where:
Base-Base interactions energy: -158.067
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.042
local terms energy: -76.262116
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -22.406
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: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -214.429425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.429425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.429425 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.107
local terms energy: -68.395783
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -222.472821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472821 (E_RNA)
where:
Base-Base interactions energy: -154.974
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.031
local terms energy: -67.468057
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -215.089580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.089580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.089580 (E_RNA)
where:
Base-Base interactions energy: -140.582
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.000
local terms energy: -74.507094
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -214.836465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.836465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.836465 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.005
local terms energy: -69.164644
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -19.819
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: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -94.787960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.787960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.787960 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -29.494
Base-Backbone interact. energy: -1.591
local terms energy: -52.801021
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -7.357
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: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -80.255277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255277 (E_RNA)
where:
Base-Base interactions energy: -26.611
where: short stacking energy: -20.709
Base-Backbone interact. energy: -0.586
local terms energy: -53.058250
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -69.439115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.439115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.439115 (E_RNA)
where:
Base-Base interactions energy: -25.469
where: short stacking energy: -11.278
Base-Backbone interact. energy: 1.232
local terms energy: -45.202016
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: 2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -243.482421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.482421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.482421 (E_RNA)
where:
Base-Base interactions energy: -162.973
where: short stacking energy: -64.728
Base-Backbone interact. energy: 0.340
local terms energy: -80.849201
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -233.601307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.601307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.601307 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.003
local terms energy: -79.939064
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -20.198
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: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -225.067324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.067324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.067324 (E_RNA)
where:
Base-Base interactions energy: -160.824
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.373
local terms energy: -63.870786
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -227.295123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.295123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295123 (E_RNA)
where:
Base-Base interactions energy: -151.154
where: short stacking energy: -63.461
Base-Backbone interact. energy: -0.043
local terms energy: -76.098275
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -222.072196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.072196 (E_RNA)
where:
Base-Base interactions energy: -145.006
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.087
local terms energy: -76.979503
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -218.373730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373730 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.129
local terms energy: -80.002147
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.291
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -208.241042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.241042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.241042 (E_RNA)
where:
Base-Base interactions energy: -140.382
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.000
local terms energy: -67.858520
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -20.711
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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -83.339301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.339301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.339301 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -16.579
Base-Backbone interact. energy: -0.184
local terms energy: -47.483406
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -91.713556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.713556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.713556 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.296
local terms energy: -49.219491
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -10.371
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: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -90.651964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651964 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -21.831
Base-Backbone interact. energy: -0.479
local terms energy: -51.279833
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.068
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: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -240.328707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.328707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.328707 (E_RNA)
where:
Base-Base interactions energy: -158.619
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.004
local terms energy: -81.704775
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -227.583173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.583173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.583173 (E_RNA)
where:
Base-Base interactions energy: -156.743
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.136
local terms energy: -70.704330
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -12.046
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: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -228.300076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.300076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.300076 (E_RNA)
where:
Base-Base interactions energy: -154.171
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.004
local terms energy: -74.125742
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -223.417385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.417385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.417385 (E_RNA)
where:
Base-Base interactions energy: -150.358
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.102
local terms energy: -72.956965
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -17.725
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: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -219.076188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.076188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.076188 (E_RNA)
where:
Base-Base interactions energy: -149.066
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.008
local terms energy: -70.001867
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -213.828625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828625 (E_RNA)
where:
Base-Base interactions energy: -142.986
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.002
local terms energy: -70.840724
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -208.334017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.334017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334017 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.180
local terms energy: -71.806786
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -19.621
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: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -86.727737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.727737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.727737 (E_RNA)
where:
Base-Base interactions energy: -39.301
where: short stacking energy: -22.525
Base-Backbone interact. energy: 0.256
local terms energy: -47.681826
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -11.271
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: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -98.404826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.404826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.404826 (E_RNA)
where:
Base-Base interactions energy: -43.063
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.066
local terms energy: -55.276539
where:
bonds (distance) C4'-P energy: -6.084
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -9.136
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: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -81.775956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775956 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -26.394
Base-Backbone interact. energy: -0.061
local terms energy: -47.701892
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -4.971
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: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -228.974997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974997 (E_RNA)
where:
Base-Base interactions energy: -155.996
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.123
local terms energy: -72.856027
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.241
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -234.560361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.560361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.560361 (E_RNA)
where:
Base-Base interactions energy: -160.318
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.279
local terms energy: -73.962624
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -223.178706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.178706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.178706 (E_RNA)
where:
Base-Base interactions energy: -150.193
where: short stacking energy: -64.454
Base-Backbone interact. energy: -0.008
local terms energy: -72.978265
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -19.397
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: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -229.750958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.750958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.750958 (E_RNA)
where:
Base-Base interactions energy: -161.082
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.167
local terms energy: -68.501727
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -221.346369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.346369 (E_RNA)
where:
Base-Base interactions energy: -147.416
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.639
local terms energy: -73.291359
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -18.696
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -215.209161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.209161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.209161 (E_RNA)
where:
Base-Base interactions energy: -148.273
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.008
local terms energy: -66.928213
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -210.736821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.736821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.736821 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -60.924
Base-Backbone interact. energy: -0.190
local terms energy: -72.764312
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -112.272819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.272819 (E_RNA)
where:
Base-Base interactions energy: -59.517
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.136
local terms energy: -52.619366
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -1.810
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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -82.124972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.124972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.124972 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.130
local terms energy: -43.751209
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -6.946
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: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -77.067467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067467 (E_RNA)
where:
Base-Base interactions energy: -36.936
where: short stacking energy: -22.199
Base-Backbone interact. energy: -0.696
local terms energy: -39.435338
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -0.599
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: 417
Temperature: 0.900000
Total energy: -228.670340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.670340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.670340 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -66.631
Base-Backbone interact. energy: -0.144
local terms energy: -75.600317
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -16.588
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: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -233.246719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.246719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.246719 (E_RNA)
where:
Base-Base interactions energy: -153.709
where: short stacking energy: -70.799
Base-Backbone interact. energy: -0.102
local terms energy: -79.435727
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.492
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: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -227.379898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.379898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.379898 (E_RNA)
where:
Base-Base interactions energy: -152.847
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.029
local terms energy: -74.503906
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -224.279678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.279678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.279678 (E_RNA)
where:
Base-Base interactions energy: -152.930
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.006
local terms energy: -71.343549
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -216.944614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.944614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.944614 (E_RNA)
where:
Base-Base interactions energy: -148.011
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.079
local terms energy: -68.854448
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -18.481
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: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -213.666361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666361 (E_RNA)
where:
Base-Base interactions energy: -138.822
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.452
local terms energy: -74.392078
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -206.090597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.090597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.090597 (E_RNA)
where:
Base-Base interactions energy: -137.146
where: short stacking energy: -59.218
Base-Backbone interact. energy: -0.120
local terms energy: -68.824516
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -21.254
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: 417
Temperature: 1.250000
Total energy: -130.888953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.888953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.888953 (E_RNA)
where:
Base-Base interactions energy: -73.039
where: short stacking energy: -34.006
Base-Backbone interact. energy: -1.565
local terms energy: -56.284456
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -3.877
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: 417
Temperature: 1.300000
Total energy: -78.292311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.292311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.292311 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -29.657
Base-Backbone interact. energy: -1.202
local terms energy: -47.668553
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -74.249502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.249502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.249502 (E_RNA)
where:
Base-Base interactions energy: -27.644
where: short stacking energy: -23.871
Base-Backbone interact. energy: -0.449
local terms energy: -46.156745
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -242.746909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.746909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746909 (E_RNA)
where:
Base-Base interactions energy: -164.103
where: short stacking energy: -72.955
Base-Backbone interact. energy: -0.562
local terms energy: -78.081646
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -228.557526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.557526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.557526 (E_RNA)
where:
Base-Base interactions energy: -154.948
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.088
local terms energy: -73.521244
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -229.445580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.445580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.445580 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -66.254
Base-Backbone interact. energy: 0.456
local terms energy: -78.438169
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -228.672151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.672151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.672151 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.018
local terms energy: -76.502393
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.313
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: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -218.621552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.621552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621552 (E_RNA)
where:
Base-Base interactions energy: -146.857
where: short stacking energy: -61.435
Base-Backbone interact. energy: 0.413
local terms energy: -72.177523
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -18.862
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -208.610141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.610141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.610141 (E_RNA)
where:
Base-Base interactions energy: -142.647
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.150
local terms energy: -65.812727
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -13.486
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -218.713741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.713741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.713741 (E_RNA)
where:
Base-Base interactions energy: -146.175
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.145
local terms energy: -72.393653
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -11.188
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: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -123.395563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.395563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.395563 (E_RNA)
where:
Base-Base interactions energy: -82.868
where: short stacking energy: -38.751
Base-Backbone interact. energy: 0.261
local terms energy: -40.788114
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: 3.120
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: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -81.814493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814493 (E_RNA)
where:
Base-Base interactions energy: -33.012
where: short stacking energy: -19.531
Base-Backbone interact. energy: 0.178
local terms energy: -48.980034
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -63.986788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.986788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.986788 (E_RNA)
where:
Base-Base interactions energy: -25.250
where: short stacking energy: -16.416
Base-Backbone interact. energy: 0.162
local terms energy: -38.899332
where:
bonds (distance) C4'-P energy: -6.143
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.980
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: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -240.562813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.562813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.562813 (E_RNA)
where:
Base-Base interactions energy: -163.652
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.382
local terms energy: -76.528581
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -239.468180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.468180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.468180 (E_RNA)
where:
Base-Base interactions energy: -155.773
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.571
local terms energy: -83.124510
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -22.330
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -220.881413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.881413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.881413 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -51.323
Base-Backbone interact. energy: -0.717
local terms energy: -69.341276
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -220.777004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.777004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.777004 (E_RNA)
where:
Base-Base interactions energy: -150.565
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.076
local terms energy: -70.136569
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.858
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: 419
Temperature: 1.100000
Total energy: -223.295375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.295375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.295375 (E_RNA)
where:
Base-Base interactions energy: -153.376
where: short stacking energy: -71.898
Base-Backbone interact. energy: -0.089
local terms energy: -69.830718
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -22.737
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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -218.277742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.277742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.277742 (E_RNA)
where:
Base-Base interactions energy: -152.428
where: short stacking energy: -63.224
Base-Backbone interact. energy: -0.004
local terms energy: -65.845816
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -206.368444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.368444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.368444 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.233
local terms energy: -61.708005
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.784
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: 419
Temperature: 1.250000
Total energy: -105.206168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.206168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.206168 (E_RNA)
where:
Base-Base interactions energy: -57.052
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.238
local terms energy: -47.915860
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -78.728004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.728004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.728004 (E_RNA)
where:
Base-Base interactions energy: -26.032
where: short stacking energy: -24.536
Base-Backbone interact. energy: -0.315
local terms energy: -52.380894
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.262
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: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -74.495328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.495328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.495328 (E_RNA)
where:
Base-Base interactions energy: -32.219
where: short stacking energy: -28.476
Base-Backbone interact. energy: 3.201
local terms energy: -45.477277
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -238.827350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.827350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.827350 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.084
local terms energy: -82.049548
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -242.923413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.923413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.923413 (E_RNA)
where:
Base-Base interactions energy: -166.894
where: short stacking energy: -67.845
Base-Backbone interact. energy: -0.301
local terms energy: -75.728212
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -232.632101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.632101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.632101 (E_RNA)
where:
Base-Base interactions energy: -159.465
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.000
local terms energy: -73.167454
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -216.556226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.556226 (E_RNA)
where:
Base-Base interactions energy: -149.956
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.158
local terms energy: -66.442152
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.951
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: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -219.224925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224925 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.044
local terms energy: -78.485255
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -14.048
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -209.760193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.760193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.760193 (E_RNA)
where:
Base-Base interactions energy: -141.968
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.009
local terms energy: -67.783675
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -213.661643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.661643 (E_RNA)
where:
Base-Base interactions energy: -149.415
where: short stacking energy: -65.023
Base-Backbone interact. energy: -0.010
local terms energy: -64.237164
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.384
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -122.235355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.235355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.235355 (E_RNA)
where:
Base-Base interactions energy: -65.781
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.148
local terms energy: -56.306210
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -85.325838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.325838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.325838 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -33.661
Base-Backbone interact. energy: -0.182
local terms energy: -51.482915
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -3.498
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: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -73.762493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.762493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.762493 (E_RNA)
where:
Base-Base interactions energy: -18.682
where: short stacking energy: -15.901
Base-Backbone interact. energy: -0.149
local terms energy: -54.931716
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -237.830441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.830441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.830441 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.075
local terms energy: -77.139135
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -10.034
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: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -236.057712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.057712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.057712 (E_RNA)
where:
Base-Base interactions energy: -156.147
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.159
local terms energy: -79.752365
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -230.437186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.437186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.437186 (E_RNA)
where:
Base-Base interactions energy: -150.825
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.000
local terms energy: -79.612145
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -21.323
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: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -228.483575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.483575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.483575 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.002
local terms energy: -78.649297
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.393
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: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -215.902261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.902261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.902261 (E_RNA)
where:
Base-Base interactions energy: -142.843
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.001
local terms energy: -73.058447
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.716
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -212.732878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732878 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.007
local terms energy: -65.112126
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -20.168
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: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -206.584302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.584302 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.235
local terms energy: -72.079473
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.413639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.413639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.413639 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -38.937
Base-Backbone interact. energy: -0.006
local terms energy: -53.470811
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -5.364
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: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -92.911874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911874 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.244
local terms energy: -56.553454
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -107.006788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.006788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.006788 (E_RNA)
where:
Base-Base interactions energy: -61.709
where: short stacking energy: -22.534
Base-Backbone interact. energy: -0.282
local terms energy: -45.016055
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -4.882
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -234.291109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.291109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.291109 (E_RNA)
where:
Base-Base interactions energy: -159.533
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.121
local terms energy: -74.636741
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -19.118
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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -232.809435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.809435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.809435 (E_RNA)
where:
Base-Base interactions energy: -157.219
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.004
local terms energy: -75.585875
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -228.895682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.895682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.895682 (E_RNA)
where:
Base-Base interactions energy: -156.720
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.001
local terms energy: -72.175258
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -224.662463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.662463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.662463 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -63.484
Base-Backbone interact. energy: 0.174
local terms energy: -73.594131
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -224.614980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.614980 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.013
local terms energy: -78.832136
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -18.517
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: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -223.397358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.397358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.397358 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.134
local terms energy: -73.200878
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -224.535250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535250 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.052
local terms energy: -74.825810
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -85.683638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683638 (E_RNA)
where:
Base-Base interactions energy: -36.663
where: short stacking energy: -30.963
Base-Backbone interact. energy: -0.144
local terms energy: -48.876442
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -87.377920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377920 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.319
local terms energy: -54.803967
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -81.462335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.462335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.462335 (E_RNA)
where:
Base-Base interactions energy: -32.369
where: short stacking energy: -17.736
Base-Backbone interact. energy: -0.249
local terms energy: -48.843635
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -237.573702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.573702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.573702 (E_RNA)
where:
Base-Base interactions energy: -161.059
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.098
local terms energy: -76.416721
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -21.213
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: 423
Temperature: 0.950000
Total energy: -233.037464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.037464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.037464 (E_RNA)
where:
Base-Base interactions energy: -152.888
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.150
local terms energy: -79.999954
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -20.732
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: 423
Temperature: 1.000000
Total energy: -234.349722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.349722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.349722 (E_RNA)
where:
Base-Base interactions energy: -156.530
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.238
local terms energy: -77.581714
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.990
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: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -221.487279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.487279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.487279 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.029
local terms energy: -72.062460
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -219.368339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.368339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.368339 (E_RNA)
where:
Base-Base interactions energy: -147.817
where: short stacking energy: -60.239
Base-Backbone interact. energy: -0.095
local terms energy: -71.456019
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.230
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -217.730072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.730072 (E_RNA)
where:
Base-Base interactions energy: -142.471
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.059
local terms energy: -75.200912
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -18.565
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -209.140391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140391 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.292
local terms energy: -67.430373
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -6.819
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: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -80.708269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708269 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.151
local terms energy: -50.344923
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -89.370053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370053 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.010
local terms energy: -55.596959
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -80.261822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261822 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -17.256
Base-Backbone interact. energy: -0.334
local terms energy: -45.713685
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: 5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -239.016425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.016425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.016425 (E_RNA)
where:
Base-Base interactions energy: -158.771
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.018
local terms energy: -80.227176
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -19.546
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: 424
Temperature: 0.950000
Total energy: -240.211666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.211666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211666 (E_RNA)
where:
Base-Base interactions energy: -162.234
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.028
local terms energy: -77.950442
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -20.687
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: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -227.311656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311656 (E_RNA)
where:
Base-Base interactions energy: -151.644
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.067
local terms energy: -75.601254
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -13.237
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: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -225.267138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267138 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.034
local terms energy: -80.479386
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -220.817433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.817433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.817433 (E_RNA)
where:
Base-Base interactions energy: -150.300
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.029
local terms energy: -70.488409
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -214.274750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.274750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.274750 (E_RNA)
where:
Base-Base interactions energy: -146.999
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.175
local terms energy: -67.101150
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -215.751435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.751435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751435 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.166
local terms energy: -68.928806
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -73.268866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.268866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.268866 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -19.948
Base-Backbone interact. energy: -0.626
local terms energy: -49.050963
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -78.430821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430821 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.098
local terms energy: -51.693718
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -73.596761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.596761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.596761 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.574
local terms energy: -43.722066
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -237.817233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.817233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.817233 (E_RNA)
where:
Base-Base interactions energy: -162.843
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.009
local terms energy: -74.965843
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -231.879642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879642 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.122
local terms energy: -75.171731
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -224.468391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.468391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.468391 (E_RNA)
where:
Base-Base interactions energy: -153.769
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.092
local terms energy: -70.606667
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.297
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: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -224.568054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.568054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.568054 (E_RNA)
where:
Base-Base interactions energy: -150.671
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.017
local terms energy: -73.879685
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -226.482764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.482764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.482764 (E_RNA)
where:
Base-Base interactions energy: -155.403
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.014
local terms energy: -71.066083
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -221.715720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715720 (E_RNA)
where:
Base-Base interactions energy: -153.476
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.059
local terms energy: -68.180707
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.812
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: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -217.274343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.274343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.274343 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.098
local terms energy: -72.063134
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -87.234881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.234881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.234881 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.088
local terms energy: -53.101636
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -77.346552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.346552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.346552 (E_RNA)
where:
Base-Base interactions energy: -37.484
where: short stacking energy: -33.430
Base-Backbone interact. energy: -0.015
local terms energy: -39.847420
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -75.357023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.357023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.357023 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -14.876
Base-Backbone interact. energy: -0.203
local terms energy: -43.088398
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: 1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -237.452235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.452235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.452235 (E_RNA)
where:
Base-Base interactions energy: -159.790
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.128
local terms energy: -77.534347
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -21.856
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: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -235.525555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.525555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.525555 (E_RNA)
where:
Base-Base interactions energy: -157.058
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.001
local terms energy: -78.466896
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -229.361588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.361588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.361588 (E_RNA)
where:
Base-Base interactions energy: -158.359
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.025
local terms energy: -70.976952
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -18.140
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: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -223.870862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.870862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.870862 (E_RNA)
where:
Base-Base interactions energy: -146.873
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.106
local terms energy: -76.891403
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -21.590
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: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -222.736723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.736723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.736723 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.092
local terms energy: -76.642512
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -21.388
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: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -220.135227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.135227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.135227 (E_RNA)
where:
Base-Base interactions energy: -143.090
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.171
local terms energy: -76.874590
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -207.470693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470693 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.280
local terms energy: -69.425271
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -12.196
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: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -85.327373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.327373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.327373 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -21.823
Base-Backbone interact. energy: -0.219
local terms energy: -47.115947
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -78.569189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569189 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.358
local terms energy: -43.884211
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -82.993933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993933 (E_RNA)
where:
Base-Base interactions energy: -36.175
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.137
local terms energy: -46.681811
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -235.614150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.614150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.614150 (E_RNA)
where:
Base-Base interactions energy: -166.392
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.040
local terms energy: -69.181925
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -239.731676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.731676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.731676 (E_RNA)
where:
Base-Base interactions energy: -163.970
where: short stacking energy: -67.911
Base-Backbone interact. energy: -0.126
local terms energy: -75.636261
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -20.492
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: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -231.094790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.094790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.094790 (E_RNA)
where:
Base-Base interactions energy: -152.964
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.001
local terms energy: -78.129830
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -231.412764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.412764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.412764 (E_RNA)
where:
Base-Base interactions energy: -155.400
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.566
local terms energy: -75.446862
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -9.128
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -221.108303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108303 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.096
local terms energy: -73.061211
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -21.920
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: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -210.848957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.848957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.848957 (E_RNA)
where:
Base-Base interactions energy: -143.506
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.281
local terms energy: -67.062553
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -20.065
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: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -213.018737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018737 (E_RNA)
where:
Base-Base interactions energy: -155.564
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.122
local terms energy: -57.331995
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.509
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: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -79.665036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.665036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.665036 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -18.903
Base-Backbone interact. energy: 1.124
local terms energy: -52.091946
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.179497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.179497 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.120
local terms energy: -43.620955
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.404354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404354 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -19.691
Base-Backbone interact. energy: -0.120
local terms energy: -42.597204
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: 3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -238.839874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.839874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.839874 (E_RNA)
where:
Base-Base interactions energy: -157.362
where: short stacking energy: -72.518
Base-Backbone interact. energy: 0.214
local terms energy: -81.691513
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.467
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -233.226221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.226221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.226221 (E_RNA)
where:
Base-Base interactions energy: -156.668
where: short stacking energy: -72.009
Base-Backbone interact. energy: -0.006
local terms energy: -76.552872
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -229.213506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.213506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.213506 (E_RNA)
where:
Base-Base interactions energy: -153.360
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.172
local terms energy: -75.681567
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -225.257364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.257364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.257364 (E_RNA)
where:
Base-Base interactions energy: -149.850
where: short stacking energy: -66.360
Base-Backbone interact. energy: 0.116
local terms energy: -75.522636
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -11.987
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: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -225.742574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.742574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.742574 (E_RNA)
where:
Base-Base interactions energy: -145.868
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.293
local terms energy: -79.581088
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -216.961393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.961393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.961393 (E_RNA)
where:
Base-Base interactions energy: -143.931
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.236
local terms energy: -72.794513
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -209.708514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.708514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.708514 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.090
local terms energy: -65.284281
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.606
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: 428
Temperature: 1.250000
Total energy: -78.833548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.833548 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -35.384
Base-Backbone interact. energy: 0.713
local terms energy: -40.485577
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -1.825
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -2.552
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: 428
Temperature: 1.300000
Total energy: -87.778825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778825 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -26.643
Base-Backbone interact. energy: -0.321
local terms energy: -54.105834
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -3.669
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -79.708124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.708124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.708124 (E_RNA)
where:
Base-Base interactions energy: -42.904
where: short stacking energy: -23.356
Base-Backbone interact. energy: -0.042
local terms energy: -36.762175
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -240.991513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.991513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.991513 (E_RNA)
where:
Base-Base interactions energy: -169.046
where: short stacking energy: -76.948
Base-Backbone interact. energy: -0.168
local terms energy: -71.778202
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -20.803
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: 429
Temperature: 0.950000
Total energy: -227.902429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.902429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.902429 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -65.055
Base-Backbone interact. energy: 0.098
local terms energy: -79.044210
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -232.712618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.712618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.712618 (E_RNA)
where:
Base-Base interactions energy: -158.761
where: short stacking energy: -70.664
Base-Backbone interact. energy: -0.095
local terms energy: -73.857088
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -222.614062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.614062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.614062 (E_RNA)
where:
Base-Base interactions energy: -144.594
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.006
local terms energy: -78.013968
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -219.224830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224830 (E_RNA)
where:
Base-Base interactions energy: -149.242
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.007
local terms energy: -69.975928
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -221.992416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.992416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.992416 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -62.862
Base-Backbone interact. energy: -1.019
local terms energy: -72.813203
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -18.719
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -208.629092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.629092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.629092 (E_RNA)
where:
Base-Base interactions energy: -142.918
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.134
local terms energy: -65.577433
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -84.117594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.117594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.117594 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -27.997
Base-Backbone interact. energy: 0.123
local terms energy: -56.243818
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.786369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.786369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.786369 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.222
local terms energy: -50.980794
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -72.211566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.211566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.211566 (E_RNA)
where:
Base-Base interactions energy: -14.999
where: short stacking energy: -14.999
Base-Backbone interact. energy: -0.185
local terms energy: -57.027857
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -246.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.132150 (E_RNA)
where:
Base-Base interactions energy: -167.982
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.183
local terms energy: -77.967417
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -238.008835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.008835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.008835 (E_RNA)
where:
Base-Base interactions energy: -160.625
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.001
local terms energy: -77.382994
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -228.834735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.834735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.834735 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.015
local terms energy: -76.234211
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -213.090117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.090117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.090117 (E_RNA)
where:
Base-Base interactions energy: -142.598
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.103
local terms energy: -70.388417
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -18.518
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: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -218.027068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.027068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.027068 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -66.393
Base-Backbone interact. energy: 0.936
local terms energy: -72.514423
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -216.562087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.562087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.562087 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.075
local terms energy: -68.293647
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -19.163
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -217.714341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.714341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.714341 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.009
local terms energy: -72.345837
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -18.413
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: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -85.571604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.571604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.571604 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.861
local terms energy: -53.687156
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -82.636263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636263 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.024
local terms energy: -48.424746
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -85.761519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.761519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.761519 (E_RNA)
where:
Base-Base interactions energy: -30.446
where: short stacking energy: -19.652
Base-Backbone interact. energy: -0.301
local terms energy: -55.014822
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -237.846967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846967 (E_RNA)
where:
Base-Base interactions energy: -163.219
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.047
local terms energy: -74.581028
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.602
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -231.677844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.677844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.677844 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.265
local terms energy: -79.782987
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -12.191
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -234.285907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.285907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.285907 (E_RNA)
where:
Base-Base interactions energy: -164.040
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.002
local terms energy: -70.244176
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -226.470125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.470125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.470125 (E_RNA)
where:
Base-Base interactions energy: -155.832
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.480
local terms energy: -70.158457
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -214.513833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.513833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.513833 (E_RNA)
where:
Base-Base interactions energy: -144.604
where: short stacking energy: -58.963
Base-Backbone interact. energy: 0.198
local terms energy: -70.107539
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -17.522
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: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -209.536400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.536400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.536400 (E_RNA)
where:
Base-Base interactions energy: -142.946
where: short stacking energy: -61.715
Base-Backbone interact. energy: 0.176
local terms energy: -66.766538
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -17.489
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: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -213.557098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.557098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.557098 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.124
local terms energy: -64.933821
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -81.409199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.409199 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -23.672
Base-Backbone interact. energy: -0.142
local terms energy: -31.758436
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -5.290
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: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -80.925015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.925015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.925015 (E_RNA)
where:
Base-Base interactions energy: -32.024
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.038
local terms energy: -48.863062
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -82.323689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323689 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -19.765
Base-Backbone interact. energy: -0.222
local terms energy: -46.415094
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: 2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -234.855013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.855013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.855013 (E_RNA)
where:
Base-Base interactions energy: -160.201
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.001
local terms energy: -74.652918
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -17.638
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: 432
Temperature: 0.950000
Total energy: -242.769995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.769995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.769995 (E_RNA)
where:
Base-Base interactions energy: -167.293
where: short stacking energy: -67.904
Base-Backbone interact. energy: 0.987
local terms energy: -76.463728
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.837
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: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -219.700107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.700107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.700107 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.021
local terms energy: -72.345615
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -16.663
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: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -227.104335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.104335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.104335 (E_RNA)
where:
Base-Base interactions energy: -151.024
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.077
local terms energy: -76.003695
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -20.218
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: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -220.114465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.114465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.114465 (E_RNA)
where:
Base-Base interactions energy: -149.739
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.306
local terms energy: -70.069105
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -216.808178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.808178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.808178 (E_RNA)
where:
Base-Base interactions energy: -147.909
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.104
local terms energy: -68.795613
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -219.867818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.867818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.867818 (E_RNA)
where:
Base-Base interactions energy: -149.116
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.033
local terms energy: -70.718105
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -98.081033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.081033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.081033 (E_RNA)
where:
Base-Base interactions energy: -47.700
where: short stacking energy: -24.202
Base-Backbone interact. energy: -0.258
local terms energy: -50.122884
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 1.574
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: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -90.075972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.075972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.075972 (E_RNA)
where:
Base-Base interactions energy: -47.275
where: short stacking energy: -28.427
Base-Backbone interact. energy: -0.663
local terms energy: -42.137891
where:
bonds (distance) C4'-P energy: -3.371
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -7.582
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -5.825
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: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -81.989758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989758 (E_RNA)
where:
Base-Base interactions energy: -27.362
where: short stacking energy: -16.293
Base-Backbone interact. energy: -0.097
local terms energy: -54.531135
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -236.420559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.420559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.420559 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.101
local terms energy: -76.694865
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -234.042162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.042162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.042162 (E_RNA)
where:
Base-Base interactions energy: -153.727
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.014
local terms energy: -80.301085
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.535
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -231.813901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.813901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.813901 (E_RNA)
where:
Base-Base interactions energy: -156.019
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.164
local terms energy: -75.630709
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -20.133
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -232.546328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.546328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.546328 (E_RNA)
where:
Base-Base interactions energy: -156.402
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.000
local terms energy: -76.143921
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -221.537569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.537569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537569 (E_RNA)
where:
Base-Base interactions energy: -155.242
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.066
local terms energy: -66.229554
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.888
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: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -214.886013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.886013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.886013 (E_RNA)
where:
Base-Base interactions energy: -148.910
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.035
local terms energy: -65.941174
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -210.506466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.506466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.506466 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.199
local terms energy: -71.496720
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -19.096
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: 433
Temperature: 1.250000
Total energy: -90.454510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454510 (E_RNA)
where:
Base-Base interactions energy: -35.991
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.148
local terms energy: -54.314995
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -77.749215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.749215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.749215 (E_RNA)
where:
Base-Base interactions energy: -23.640
where: short stacking energy: -12.283
Base-Backbone interact. energy: -0.129
local terms energy: -53.980401
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -0.555
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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.986031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.986031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.986031 (E_RNA)
where:
Base-Base interactions energy: -24.019
where: short stacking energy: -20.366
Base-Backbone interact. energy: -0.063
local terms energy: -48.904385
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -244.080008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.080008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.080008 (E_RNA)
where:
Base-Base interactions energy: -170.605
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.160
local terms energy: -73.314584
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.347
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: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -230.709627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.709627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.709627 (E_RNA)
where:
Base-Base interactions energy: -156.977
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.092
local terms energy: -73.641271
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -227.064732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.064732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.064732 (E_RNA)
where:
Base-Base interactions energy: -155.973
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.035
local terms energy: -71.056964
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -18.764
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -226.016678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.016678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.016678 (E_RNA)
where:
Base-Base interactions energy: -154.997
where: short stacking energy: -71.290
Base-Backbone interact. energy: -0.000
local terms energy: -71.019965
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -224.453312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.453312 (E_RNA)
where:
Base-Base interactions energy: -152.368
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.006
local terms energy: -72.079062
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -215.448308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.448308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.448308 (E_RNA)
where:
Base-Base interactions energy: -144.193
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.012
local terms energy: -71.243887
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.512
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -207.828859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.828859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.828859 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -53.614
Base-Backbone interact. energy: 0.123
local terms energy: -68.708257
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -84.462885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462885 (E_RNA)
where:
Base-Base interactions energy: -25.211
where: short stacking energy: -25.211
Base-Backbone interact. energy: -0.040
local terms energy: -59.211802
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -6.807
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: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -83.612088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.612088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.612088 (E_RNA)
where:
Base-Base interactions energy: -40.868
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.111
local terms energy: -42.632764
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -79.657852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.657852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.657852 (E_RNA)
where:
Base-Base interactions energy: -33.407
where: short stacking energy: -20.312
Base-Backbone interact. energy: -0.325
local terms energy: -45.925944
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -238.007962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.007962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.007962 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.005
local terms energy: -76.177751
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -236.307897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.307897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.307897 (E_RNA)
where:
Base-Base interactions energy: -157.299
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.137
local terms energy: -78.871730
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -230.662453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.662453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.662453 (E_RNA)
where:
Base-Base interactions energy: -158.739
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.006
local terms energy: -71.917233
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -230.626513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.626513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.626513 (E_RNA)
where:
Base-Base interactions energy: -159.688
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.323
local terms energy: -70.615437
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -19.034
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: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -228.066572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.066572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.066572 (E_RNA)
where:
Base-Base interactions energy: -157.372
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.670
local terms energy: -70.024409
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -215.815155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.815155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.815155 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.009
local terms energy: -69.171115
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -209.095829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.095829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.095829 (E_RNA)
where:
Base-Base interactions energy: -138.576
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.067
local terms energy: -70.452552
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -80.633292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.633292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.633292 (E_RNA)
where:
Base-Base interactions energy: -36.581
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.461
local terms energy: -43.591969
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -86.593442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593442 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.098
local terms energy: -48.971025
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -4.461
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: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -74.462615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.462615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.462615 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -14.186
Base-Backbone interact. energy: 0.594
local terms energy: -44.510736
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: 0.929
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: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -235.071126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.071126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.071126 (E_RNA)
where:
Base-Base interactions energy: -154.403
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.051
local terms energy: -80.617068
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -21.182
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: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -242.056721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.056721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.056721 (E_RNA)
where:
Base-Base interactions energy: -163.086
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.004
local terms energy: -78.966535
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -9.858
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: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -230.362211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.362211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.362211 (E_RNA)
where:
Base-Base interactions energy: -156.332
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.266
local terms energy: -73.763952
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -18.288
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: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -228.853929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.853929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.853929 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.094
local terms energy: -71.529123
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -217.000238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.000238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.000238 (E_RNA)
where:
Base-Base interactions energy: -146.382
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.031
local terms energy: -70.587572
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.601
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: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -217.309695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.309695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.309695 (E_RNA)
where:
Base-Base interactions energy: -147.379
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.163
local terms energy: -69.766965
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -17.657
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: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -216.322727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.322727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.322727 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.216
local terms energy: -76.809347
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -86.459307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.459307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.459307 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.239
local terms energy: -47.877340
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -71.748441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.748441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.748441 (E_RNA)
where:
Base-Base interactions energy: -26.046
where: short stacking energy: -17.997
Base-Backbone interact. energy: -0.051
local terms energy: -45.651026
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: 0.597
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: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -73.041986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.041986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.041986 (E_RNA)
where:
Base-Base interactions energy: -29.699
where: short stacking energy: -18.836
Base-Backbone interact. energy: -0.930
local terms energy: -42.413254
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: 0.503
tors. eta vs tors. theta energy: -0.856
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -241.312776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.312776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.312776 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.152
local terms energy: -84.019724
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -20.186
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: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -240.423637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.423637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.423637 (E_RNA)
where:
Base-Base interactions energy: -162.288
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.051
local terms energy: -78.084707
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -21.446
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: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -232.156927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.156927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.156927 (E_RNA)
where:
Base-Base interactions energy: -158.490
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.055
local terms energy: -73.612033
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -233.596242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.596242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.596242 (E_RNA)
where:
Base-Base interactions energy: -153.729
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.104
local terms energy: -79.762497
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -215.685366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.685366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.685366 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -61.272
Base-Backbone interact. energy: 1.013
local terms energy: -74.759298
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -211.771872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.771872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.771872 (E_RNA)
where:
Base-Base interactions energy: -146.134
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.012
local terms energy: -65.624972
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -10.439
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: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -211.485435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.485435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485435 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.187
local terms energy: -64.615993
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -92.901053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.901053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.901053 (E_RNA)
where:
Base-Base interactions energy: -37.289
where: short stacking energy: -12.510
Base-Backbone interact. energy: -0.080
local terms energy: -55.531898
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -0.926
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -81.198577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198577 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.107
local terms energy: -40.898829
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -73.637031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.637031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.637031 (E_RNA)
where:
Base-Base interactions energy: -22.136
where: short stacking energy: -20.029
Base-Backbone interact. energy: -0.005
local terms energy: -51.495769
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: 3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -237.993696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.993696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.993696 (E_RNA)
where:
Base-Base interactions energy: -160.128
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.000
local terms energy: -77.865836
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -20.872
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -233.636682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.636682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.636682 (E_RNA)
where:
Base-Base interactions energy: -154.435
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.068
local terms energy: -79.133620
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -234.708229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.708229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.708229 (E_RNA)
where:
Base-Base interactions energy: -159.286
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.013
local terms energy: -75.409560
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -222.915708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.915708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.915708 (E_RNA)
where:
Base-Base interactions energy: -151.717
where: short stacking energy: -67.979
Base-Backbone interact. energy: -0.103
local terms energy: -71.096414
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -20.450
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: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -226.473142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.473142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.473142 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.732
local terms energy: -73.684659
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -225.616680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.616680 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.037
local terms energy: -84.053661
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -213.427360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.427360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.427360 (E_RNA)
where:
Base-Base interactions energy: -144.584
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.043
local terms energy: -68.799825
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -14.536
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: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -92.901398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.901398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.901398 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -28.869
Base-Backbone interact. energy: -0.102
local terms energy: -46.303081
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -88.403157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403157 (E_RNA)
where:
Base-Base interactions energy: -43.741
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.192
local terms energy: -44.470142
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -72.039126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.039126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.039126 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.721
local terms energy: -41.094731
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -1.418
tors. eta vs tors. theta energy: 2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -238.026851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.026851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.026851 (E_RNA)
where:
Base-Base interactions energy: -157.133
where: short stacking energy: -62.733
Base-Backbone interact. energy: -0.400
local terms energy: -80.494311
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -22.533
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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -241.004320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.004320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.004320 (E_RNA)
where:
Base-Base interactions energy: -159.758
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.022
local terms energy: -81.224284
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -229.090916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.090916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.090916 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.007
local terms energy: -78.746858
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -19.145
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -231.354076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.354076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.354076 (E_RNA)
where:
Base-Base interactions energy: -149.818
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.111
local terms energy: -81.425377
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -226.525297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.525297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.525297 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.018
local terms energy: -72.847182
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -216.115260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.115260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.115260 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.176
local terms energy: -67.817380
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -217.103018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.103018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.103018 (E_RNA)
where:
Base-Base interactions energy: -149.692
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.607
local terms energy: -66.804128
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -17.483
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: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -92.103950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.103950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.103950 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.389
local terms energy: -50.972249
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -91.921509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.921509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.921509 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -25.849
Base-Backbone interact. energy: -0.241
local terms energy: -49.820086
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -4.425
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: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -79.540124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.540124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.540124 (E_RNA)
where:
Base-Base interactions energy: -24.790
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.616
local terms energy: -54.133930
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -239.271179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.271179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.271179 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.004
local terms energy: -78.432585
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -238.584238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.584238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.584238 (E_RNA)
where:
Base-Base interactions energy: -160.720
where: short stacking energy: -68.470
Base-Backbone interact. energy: -0.003
local terms energy: -77.860924
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -239.341891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.341891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.341891 (E_RNA)
where:
Base-Base interactions energy: -160.211
where: short stacking energy: -73.995
Base-Backbone interact. energy: 0.009
local terms energy: -79.139800
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -224.024305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.024305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024305 (E_RNA)
where:
Base-Base interactions energy: -150.074
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.073
local terms energy: -73.877282
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.457
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: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -220.787188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.787188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787188 (E_RNA)
where:
Base-Base interactions energy: -155.995
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.005
local terms energy: -64.786751
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -224.730172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.730172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.730172 (E_RNA)
where:
Base-Base interactions energy: -153.155
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.002
local terms energy: -71.573313
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -19.950
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: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -209.730782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.730782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.730782 (E_RNA)
where:
Base-Base interactions energy: -142.757
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.004
local terms energy: -66.968983
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -16.167
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: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -82.646971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646971 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.088
local terms energy: -53.404942
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -86.420662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420662 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.221
local terms energy: -51.860651
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.271
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: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -75.173140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.173140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.173140 (E_RNA)
where:
Base-Base interactions energy: -24.862
where: short stacking energy: -23.272
Base-Backbone interact. energy: -0.152
local terms energy: -50.159115
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -238.409819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.409819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.409819 (E_RNA)
where:
Base-Base interactions energy: -160.631
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.013
local terms energy: -77.765091
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -237.096947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.096947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.096947 (E_RNA)
where:
Base-Base interactions energy: -159.943
where: short stacking energy: -70.322
Base-Backbone interact. energy: 0.487
local terms energy: -77.641461
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -16.640
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: 441
Temperature: 1.000000
Total energy: -223.314123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.314123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.314123 (E_RNA)
where:
Base-Base interactions energy: -145.806
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.001
local terms energy: -77.507155
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -221.818122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.818122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818122 (E_RNA)
where:
Base-Base interactions energy: -149.139
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.005
local terms energy: -72.673655
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -228.949809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949809 (E_RNA)
where:
Base-Base interactions energy: -155.086
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.281
local terms energy: -73.582733
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -224.177699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.177699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.177699 (E_RNA)
where:
Base-Base interactions energy: -158.266
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.099
local terms energy: -65.811885
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -213.259756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259756 (E_RNA)
where:
Base-Base interactions energy: -143.395
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.172
local terms energy: -69.693314
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -82.283655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.283655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.283655 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -21.899
Base-Backbone interact. energy: -0.131
local terms energy: -49.822429
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -75.514762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514762 (E_RNA)
where:
Base-Base interactions energy: -27.011
where: short stacking energy: -27.011
Base-Backbone interact. energy: -0.456
local terms energy: -48.048070
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -64.612341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.612341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.612341 (E_RNA)
where:
Base-Base interactions energy: -19.847
where: short stacking energy: -19.847
Base-Backbone interact. energy: -0.315
local terms energy: -44.450101
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -2.699
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -232.221266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.221266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.221266 (E_RNA)
where:
Base-Base interactions energy: -155.002
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.097
local terms energy: -77.122715
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -236.681306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.681306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.681306 (E_RNA)
where:
Base-Base interactions energy: -155.837
where: short stacking energy: -68.802
Base-Backbone interact. energy: -0.005
local terms energy: -80.839143
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -21.834
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: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -234.694480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.694480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.694480 (E_RNA)
where:
Base-Base interactions energy: -158.164
where: short stacking energy: -66.134
Base-Backbone interact. energy: -0.002
local terms energy: -76.528380
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -20.001
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: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -228.756816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.756816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.756816 (E_RNA)
where:
Base-Base interactions energy: -151.931
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.078
local terms energy: -76.747975
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.305
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -225.351963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.351963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.351963 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.014
local terms energy: -73.403783
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -16.766
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: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -218.600499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.600499 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.015
local terms energy: -66.579069
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -195.784385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.784385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.784385 (E_RNA)
where:
Base-Base interactions energy: -139.191
where: short stacking energy: -59.940
Base-Backbone interact. energy: -0.265
local terms energy: -56.328624
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -6.740
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -88.578882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578882 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.262
local terms energy: -53.084170
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -3.985
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -85.073282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073282 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.102
local terms energy: -52.826971
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -7.127
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: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -76.199616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.199616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.199616 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -28.588
Base-Backbone interact. energy: -0.083
local terms energy: -44.772159
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -236.092261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092261 (E_RNA)
where:
Base-Base interactions energy: -161.982
where: short stacking energy: -67.726
Base-Backbone interact. energy: -0.020
local terms energy: -74.090653
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -20.524
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -244.144710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.144710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.144710 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.002
local terms energy: -77.764228
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -227.081057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.081057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.081057 (E_RNA)
where:
Base-Base interactions energy: -154.174
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.123
local terms energy: -72.784824
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -228.096265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.096265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.096265 (E_RNA)
where:
Base-Base interactions energy: -153.151
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.213
local terms energy: -74.732151
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -23.946
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: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -223.317974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.317974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.317974 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.007
local terms energy: -75.775835
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -22.710
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -213.676624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.676624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.676624 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.876
local terms energy: -67.665854
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.739
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: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -222.478704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.478704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.478704 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.001
local terms energy: -69.089961
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -17.780
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: 443
Temperature: 1.250000
Total energy: -88.826414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.826414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.826414 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -32.589
Base-Backbone interact. energy: 1.077
local terms energy: -55.269616
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -90.401991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.401991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.401991 (E_RNA)
where:
Base-Base interactions energy: -31.109
where: short stacking energy: -28.385
Base-Backbone interact. energy: -0.204
local terms energy: -59.088778
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -78.097573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.097573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.097573 (E_RNA)
where:
Base-Base interactions energy: -34.108
where: short stacking energy: -34.054
Base-Backbone interact. energy: 1.224
local terms energy: -45.214022
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -233.773512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.773512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.773512 (E_RNA)
where:
Base-Base interactions energy: -152.663
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.001
local terms energy: -81.108939
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -236.547344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.547344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.547344 (E_RNA)
where:
Base-Base interactions energy: -159.381
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.003
local terms energy: -77.163476
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -20.076
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -232.199674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.199674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.199674 (E_RNA)
where:
Base-Base interactions energy: -153.369
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.018
local terms energy: -78.812188
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -223.753827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753827 (E_RNA)
where:
Base-Base interactions energy: -157.377
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.061
local terms energy: -66.316585
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -228.433824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.433824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.433824 (E_RNA)
where:
Base-Base interactions energy: -147.469
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.001
local terms energy: -80.964116
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -20.741
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: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -220.725830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.725830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.725830 (E_RNA)
where:
Base-Base interactions energy: -149.533
where: short stacking energy: -67.130
Base-Backbone interact. energy: 0.224
local terms energy: -71.416462
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -19.094
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: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -222.642394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.642394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.642394 (E_RNA)
where:
Base-Base interactions energy: -149.675
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.530
local terms energy: -72.436763
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -94.665654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.665654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.665654 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.235
local terms energy: -48.928101
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -87.160402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160402 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -27.468
Base-Backbone interact. energy: -1.168
local terms energy: -48.710042
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -0.591
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -91.514400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.514400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.514400 (E_RNA)
where:
Base-Base interactions energy: -49.503
where: short stacking energy: -22.556
Base-Backbone interact. energy: 3.464
local terms energy: -45.475079
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -1.625
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: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -239.025501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.025501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.025501 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.000
local terms energy: -79.783827
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -13.767
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: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -233.712921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.712921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.712921 (E_RNA)
where:
Base-Base interactions energy: -157.930
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.078
local terms energy: -75.705317
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -22.047
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: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -226.281715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.281715 (E_RNA)
where:
Base-Base interactions energy: -164.530
where: short stacking energy: -72.271
Base-Backbone interact. energy: -0.065
local terms energy: -61.686805
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -21.150
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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -228.949334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949334 (E_RNA)
where:
Base-Base interactions energy: -145.740
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.003
local terms energy: -83.206817
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -218.849337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849337 (E_RNA)
where:
Base-Base interactions energy: -145.216
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.037
local terms energy: -73.596519
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.604
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -222.288674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.288674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.288674 (E_RNA)
where:
Base-Base interactions energy: -153.521
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.009
local terms energy: -68.758799
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -212.782726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.782726 (E_RNA)
where:
Base-Base interactions energy: -144.833
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.110
local terms energy: -67.840305
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -94.621733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.621733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.621733 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -45.001
Base-Backbone interact. energy: -0.100
local terms energy: -49.520263
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -1.364
tors. eta vs tors. theta energy: -10.905
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -83.032859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032859 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -38.263
Base-Backbone interact. energy: 1.308
local terms energy: -44.199439
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -9.354
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -2.755
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: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -68.698176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.698176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.698176 (E_RNA)
where:
Base-Base interactions energy: -22.192
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.411
local terms energy: -46.095142
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: 1.313
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -239.249894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.249894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.249894 (E_RNA)
where:
Base-Base interactions energy: -166.533
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.001
local terms energy: -72.715773
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -232.922506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.922506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.922506 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -73.519
Base-Backbone interact. energy: -0.001
local terms energy: -75.183694
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -230.445271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.445271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.445271 (E_RNA)
where:
Base-Base interactions energy: -154.580
where: short stacking energy: -64.673
Base-Backbone interact. energy: -0.135
local terms energy: -75.731044
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -222.643922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.643922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.643922 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.281
local terms energy: -76.441730
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -222.405401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.405401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.405401 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.535
local terms energy: -72.327832
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.834
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -218.065109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.065109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.065109 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -55.849
Base-Backbone interact. energy: 0.931
local terms energy: -71.182257
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -15.455
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: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -141.795000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.795000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.795000 (E_RNA)
where:
Base-Base interactions energy: -84.830
where: short stacking energy: -41.039
Base-Backbone interact. energy: -0.076
local terms energy: -56.889185
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -81.634685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.634685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.634685 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -20.844
Base-Backbone interact. energy: 0.656
local terms energy: -46.077717
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -86.519010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.519010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.519010 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -37.475
Base-Backbone interact. energy: 0.104
local terms energy: -49.147029
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -76.918554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.918554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.918554 (E_RNA)
where:
Base-Base interactions energy: -26.281
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.347
local terms energy: -50.290652
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -12.771
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: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -232.135529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.135529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.135529 (E_RNA)
where:
Base-Base interactions energy: -157.721
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.000
local terms energy: -74.414643
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -16.081
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: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -232.304324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.304324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.304324 (E_RNA)
where:
Base-Base interactions energy: -158.285
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.055
local terms energy: -73.964160
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -233.768974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.768974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.768974 (E_RNA)
where:
Base-Base interactions energy: -155.295
where: short stacking energy: -70.935
Base-Backbone interact. energy: 0.041
local terms energy: -78.514796
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -233.754317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.754317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.754317 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.003
local terms energy: -72.044816
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -217.196497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.196497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.196497 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.001
local terms energy: -69.364581
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -18.986
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: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -210.113512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.113512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.113512 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.195
local terms energy: -61.333185
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -16.156
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: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -161.054665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.054665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.054665 (E_RNA)
where:
Base-Base interactions energy: -92.940
where: short stacking energy: -52.368
Base-Backbone interact. energy: -0.107
local terms energy: -68.007191
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -14.225
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: 447
Temperature: 1.250000
Total energy: -81.459058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459058 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -29.540
Base-Backbone interact. energy: 1.651
local terms energy: -53.571049
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -91.404469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404469 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -31.670
Base-Backbone interact. energy: 1.066
local terms energy: -48.040650
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -2.060
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: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.886410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.886410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.886410 (E_RNA)
where:
Base-Base interactions energy: -26.591
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.243
local terms energy: -49.052864
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: 2.297
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -242.720086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.720086 (E_RNA)
where:
Base-Base interactions energy: -165.964
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.129
local terms energy: -76.627165
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -231.671629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.671629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.671629 (E_RNA)
where:
Base-Base interactions energy: -153.064
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.003
local terms energy: -78.605046
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -18.116
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: 448
Temperature: 1.000000
Total energy: -224.941392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.941392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.941392 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.101
local terms energy: -74.743885
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.044
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: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -224.183280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.183280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.183280 (E_RNA)
where:
Base-Base interactions energy: -155.767
where: short stacking energy: -63.031
Base-Backbone interact. energy: 0.065
local terms energy: -68.481307
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -19.168
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: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -223.255251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.255251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.255251 (E_RNA)
where:
Base-Base interactions energy: -156.772
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.054
local terms energy: -66.429747
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.489
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -214.393495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.393495 (E_RNA)
where:
Base-Base interactions energy: -137.457
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.003
local terms energy: -76.933511
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -172.448608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.448608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.448608 (E_RNA)
where:
Base-Base interactions energy: -111.391
where: short stacking energy: -49.942
Base-Backbone interact. energy: -0.935
local terms energy: -60.123126
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.350
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: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -76.937338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.937338 (E_RNA)
where:
Base-Base interactions energy: -22.299
where: short stacking energy: -20.251
Base-Backbone interact. energy: -0.104
local terms energy: -54.534544
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -103.767598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.767598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.767598 (E_RNA)
where:
Base-Base interactions energy: -51.568
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.003
local terms energy: -52.196352
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -5.767
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -119.494662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.494662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.494662 (E_RNA)
where:
Base-Base interactions energy: -69.250
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.475
local terms energy: -49.770139
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -4.759
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -237.731550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731550 (E_RNA)
where:
Base-Base interactions energy: -156.535
where: short stacking energy: -74.882
Base-Backbone interact. energy: 0.177
local terms energy: -81.373674
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -242.962154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.962154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.962154 (E_RNA)
where:
Base-Base interactions energy: -164.255
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.011
local terms energy: -78.695945
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -21.337
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: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -230.086360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.086360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.086360 (E_RNA)
where:
Base-Base interactions energy: -154.058
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.025
local terms energy: -76.003360
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -233.106469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.106469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.106469 (E_RNA)
where:
Base-Base interactions energy: -156.463
where: short stacking energy: -74.311
Base-Backbone interact. energy: -0.003
local terms energy: -76.640517
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -20.650
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: 449
Temperature: 1.100000
Total energy: -221.863608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.863608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.863608 (E_RNA)
where:
Base-Base interactions energy: -146.527
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.113
local terms energy: -75.223732
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -223.715677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715677 (E_RNA)
where:
Base-Base interactions energy: -151.843
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.012
local terms energy: -71.860858
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -12.238
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: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -154.253954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.253954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.253954 (E_RNA)
where:
Base-Base interactions energy: -104.427
where: short stacking energy: -40.328
Base-Backbone interact. energy: -0.474
local terms energy: -49.352781
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -126.016740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.016740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.016740 (E_RNA)
where:
Base-Base interactions energy: -77.040
where: short stacking energy: -39.221
Base-Backbone interact. energy: -0.652
local terms energy: -48.324780
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -76.481978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481978 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -21.316
Base-Backbone interact. energy: -0.043
local terms energy: -42.442550
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: 0.214
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: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -147.563270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.563270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.563270 (E_RNA)
where:
Base-Base interactions energy: -96.954
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.144
local terms energy: -50.465492
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: 0.288
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -242.887007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.887007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.887007 (E_RNA)
where:
Base-Base interactions energy: -163.254
where: short stacking energy: -77.958
Base-Backbone interact. energy: 0.012
local terms energy: -79.645644
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -11.867
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: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -237.421599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.421599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.421599 (E_RNA)
where:
Base-Base interactions energy: -159.008
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.307
local terms energy: -78.105852
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -220.949402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.949402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949402 (E_RNA)
where:
Base-Base interactions energy: -149.340
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.163
local terms energy: -71.446745
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -219.392485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.392485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.392485 (E_RNA)
where:
Base-Base interactions energy: -144.397
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.091
local terms energy: -74.904508
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.740
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: 450
Temperature: 1.100000
Total energy: -227.900009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.900009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.900009 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.101
local terms energy: -75.143676
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -20.809
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: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -215.544430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.544430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.544430 (E_RNA)
where:
Base-Base interactions energy: -147.965
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.248
local terms energy: -67.331895
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -19.864
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: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -161.482707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.482707 (E_RNA)
where:
Base-Base interactions energy: -112.781
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.520
local terms energy: -48.181312
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -107.041168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.041168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.041168 (E_RNA)
where:
Base-Base interactions energy: -65.577
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.280
local terms energy: -41.184330
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: 2.394
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: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -146.187213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.187213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.187213 (E_RNA)
where:
Base-Base interactions energy: -90.914
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.166
local terms energy: -55.107129
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.447
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: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -101.564935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.564935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.564935 (E_RNA)
where:
Base-Base interactions energy: -60.997
where: short stacking energy: -21.511
Base-Backbone interact. energy: -0.046
local terms energy: -40.521973
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -238.097118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.097118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.097118 (E_RNA)
where:
Base-Base interactions energy: -156.321
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.322
local terms energy: -81.453984
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -236.903917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.903917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.903917 (E_RNA)
where:
Base-Base interactions energy: -161.360
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.122
local terms energy: -75.421773
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -235.430020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.430020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.430020 (E_RNA)
where:
Base-Base interactions energy: -167.119
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.019
local terms energy: -68.292050
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -226.492712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.492712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.492712 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.281
local terms energy: -78.573000
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -222.913829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.913829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.913829 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -65.960
Base-Backbone interact. energy: -0.037
local terms energy: -70.854144
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -205.464915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.464915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.464915 (E_RNA)
where:
Base-Base interactions energy: -141.710
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.127
local terms energy: -63.627793
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -170.922096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.922096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.922096 (E_RNA)
where:
Base-Base interactions energy: -112.228
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.191
local terms energy: -58.503004
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -133.809030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.809030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.809030 (E_RNA)
where:
Base-Base interactions energy: -82.331
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.453
local terms energy: -51.024105
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -80.200925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.200925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.200925 (E_RNA)
where:
Base-Base interactions energy: -20.544
where: short stacking energy: -20.544
Base-Backbone interact. energy: -1.072
local terms energy: -58.584815
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -6.060
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: 451
Temperature: 1.350000
Total energy: -74.331455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.331455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.331455 (E_RNA)
where:
Base-Base interactions energy: -25.566
where: short stacking energy: -24.847
Base-Backbone interact. energy: 0.524
local terms energy: -49.290320
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -236.639954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.639954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.639954 (E_RNA)
where:
Base-Base interactions energy: -157.030
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.047
local terms energy: -79.563541
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -238.510786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.510786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.510786 (E_RNA)
where:
Base-Base interactions energy: -163.145
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.248
local terms energy: -75.117841
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.168
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: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -232.340218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.340218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.340218 (E_RNA)
where:
Base-Base interactions energy: -160.818
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.036
local terms energy: -71.486219
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -227.494253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.494253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.494253 (E_RNA)
where:
Base-Base interactions energy: -155.063
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.758
local terms energy: -71.672998
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -211.868780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868780 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.314
local terms energy: -73.294435
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -18.294
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: 452
Temperature: 1.150000
Total energy: -207.947220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.947220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.947220 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.009
local terms energy: -65.981652
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.180
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: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -184.074594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.074594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.074594 (E_RNA)
where:
Base-Base interactions energy: -115.624
where: short stacking energy: -54.878
Base-Backbone interact. energy: -0.002
local terms energy: -68.448453
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -128.342331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.342331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.342331 (E_RNA)
where:
Base-Base interactions energy: -75.221
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.246
local terms energy: -52.875441
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -3.970
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: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -75.822843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.822843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.822843 (E_RNA)
where:
Base-Base interactions energy: -22.333
where: short stacking energy: -20.795
Base-Backbone interact. energy: -0.139
local terms energy: -53.351492
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -2.465
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: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -79.465414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.465414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.465414 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -29.456
Base-Backbone interact. energy: 0.197
local terms energy: -49.506471
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -240.169255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.169255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.169255 (E_RNA)
where:
Base-Base interactions energy: -162.712
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.069
local terms energy: -77.388304
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -239.045729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.045729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.045729 (E_RNA)
where:
Base-Base interactions energy: -163.476
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.002
local terms energy: -75.567396
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -233.082348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.082348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.082348 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -67.760
Base-Backbone interact. energy: 0.031
local terms energy: -73.619072
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -20.940
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -217.484402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.484402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.484402 (E_RNA)
where:
Base-Base interactions energy: -146.829
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.204
local terms energy: -70.451115
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -217.957756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.957756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.957756 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.030
local terms energy: -79.457930
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -19.680
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: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -217.314488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.314488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.314488 (E_RNA)
where:
Base-Base interactions energy: -153.615
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.620
local terms energy: -63.079196
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -6.616
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -161.317398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.317398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.317398 (E_RNA)
where:
Base-Base interactions energy: -101.178
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.141
local terms energy: -59.997729
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -134.049320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.049320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.049320 (E_RNA)
where:
Base-Base interactions energy: -75.670
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.086
local terms energy: -58.292932
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -10.802
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: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -78.132348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.132348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.132348 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.157
local terms energy: -45.591647
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -73.090905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.090905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.090905 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -23.830
Base-Backbone interact. energy: -0.251
local terms energy: -44.679454
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -7.039
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -236.714427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.714427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.714427 (E_RNA)
where:
Base-Base interactions energy: -158.625
where: short stacking energy: -69.224
Base-Backbone interact. energy: -0.002
local terms energy: -78.087496
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.998
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: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -234.511365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.511365 (E_RNA)
where:
Base-Base interactions energy: -162.613
where: short stacking energy: -71.345
Base-Backbone interact. energy: 0.388
local terms energy: -72.286350
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -19.189
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: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -225.582919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.582919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.582919 (E_RNA)
where:
Base-Base interactions energy: -151.213
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.196
local terms energy: -74.174182
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -11.546
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: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -221.659349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.659349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.659349 (E_RNA)
where:
Base-Base interactions energy: -150.217
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.314
local terms energy: -71.128181
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -19.812
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: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -220.612442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.612442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.612442 (E_RNA)
where:
Base-Base interactions energy: -147.497
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.140
local terms energy: -72.975964
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -17.505
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: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -210.004752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.004752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.004752 (E_RNA)
where:
Base-Base interactions energy: -137.037
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.400
local terms energy: -72.566946
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -164.587685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.587685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.587685 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.087
local terms energy: -67.940830
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -19.485
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: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -132.610820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.610820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.610820 (E_RNA)
where:
Base-Base interactions energy: -81.601
where: short stacking energy: -30.797
Base-Backbone interact. energy: -1.213
local terms energy: -49.797087
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -79.327939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.327939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.327939 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.197
local terms energy: -47.146946
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -80.240985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.240985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.240985 (E_RNA)
where:
Base-Base interactions energy: -26.232
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.283
local terms energy: -53.725828
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -243.728979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.728979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.728979 (E_RNA)
where:
Base-Base interactions energy: -162.962
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.003
local terms energy: -80.764406
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -22.811
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: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -236.078437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.078437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.078437 (E_RNA)
where:
Base-Base interactions energy: -160.964
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.100
local terms energy: -75.014463
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.406
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: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -231.649135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.649135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.649135 (E_RNA)
where:
Base-Base interactions energy: -156.181
where: short stacking energy: -64.468
Base-Backbone interact. energy: 0.003
local terms energy: -75.470987
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.890
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: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -226.646419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.646419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.646419 (E_RNA)
where:
Base-Base interactions energy: -148.442
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.140
local terms energy: -78.064506
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -213.697251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697251 (E_RNA)
where:
Base-Base interactions energy: -141.902
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.080
local terms energy: -71.715582
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -215.179124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.179124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.179124 (E_RNA)
where:
Base-Base interactions energy: -144.435
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.156
local terms energy: -70.588579
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -20.271
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: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -164.039041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.039041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.039041 (E_RNA)
where:
Base-Base interactions energy: -100.038
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.131
local terms energy: -63.869454
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -87.821875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.821875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.821875 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.180
local terms energy: -51.691557
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -125.528285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.528285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.528285 (E_RNA)
where:
Base-Base interactions energy: -77.937
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.321
local terms energy: -47.269965
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -10.158
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: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -78.126407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.126407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.126407 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.354
local terms energy: -47.367811
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -2.068
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: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -239.488593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.488593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.488593 (E_RNA)
where:
Base-Base interactions energy: -166.328
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.001
local terms energy: -73.159664
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.138
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: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -231.756109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.756109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.756109 (E_RNA)
where:
Base-Base interactions energy: -154.928
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.000
local terms energy: -76.828136
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -20.853
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: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -228.359658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.359658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.359658 (E_RNA)
where:
Base-Base interactions energy: -154.925
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.044
local terms energy: -73.390930
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -11.878
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -220.224739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224739 (E_RNA)
where:
Base-Base interactions energy: -147.099
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.142
local terms energy: -72.983299
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -225.232384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.232384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.232384 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.122
local terms energy: -79.097867
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -220.554121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.554121 (E_RNA)
where:
Base-Base interactions energy: -154.664
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.001
local terms energy: -65.889708
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -19.735
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: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -150.596467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.596467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.596467 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -44.392
Base-Backbone interact. energy: -0.228
local terms energy: -55.481516
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -7.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -83.454101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.454101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.454101 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -29.496
Base-Backbone interact. energy: 2.504
local terms energy: -52.224040
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -3.499
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: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -146.559138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.559138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.559138 (E_RNA)
where:
Base-Base interactions energy: -90.011
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.304
local terms energy: -56.244371
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -82.342466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342466 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -28.626
Base-Backbone interact. energy: 0.007
local terms energy: -45.324745
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -4.372
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -237.153918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.153918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.153918 (E_RNA)
where:
Base-Base interactions energy: -158.755
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.077
local terms energy: -78.321779
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -227.307524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.307524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.307524 (E_RNA)
where:
Base-Base interactions energy: -158.343
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.519
local terms energy: -68.445381
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -229.672627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.672627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.672627 (E_RNA)
where:
Base-Base interactions energy: -148.449
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.196
local terms energy: -81.027560
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -20.076
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -222.602514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.602514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.602514 (E_RNA)
where:
Base-Base interactions energy: -149.223
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.003
local terms energy: -73.376854
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -8.629
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: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -212.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018681 (E_RNA)
where:
Base-Base interactions energy: -142.596
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.073
local terms energy: -69.349218
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -15.849
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: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -219.702914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.702914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.702914 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.001
local terms energy: -68.918531
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.013
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: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -147.925783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.925783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.925783 (E_RNA)
where:
Base-Base interactions energy: -90.278
where: short stacking energy: -43.984
Base-Backbone interact. energy: -0.025
local terms energy: -57.622911
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -153.335590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.335590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.335590 (E_RNA)
where:
Base-Base interactions energy: -102.183
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.049
local terms energy: -51.104387
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -6.359
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.248220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248220 (E_RNA)
where:
Base-Base interactions energy: -34.758
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.051
local terms energy: -52.439363
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -10.726
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: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.319104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.319104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.319104 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.098
local terms energy: -49.767292
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -7.327
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: 458
Temperature: 0.900000
Total energy: -235.776812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.776812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.776812 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.006
local terms energy: -78.875424
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -22.164
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: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -231.665585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.665585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.665585 (E_RNA)
where:
Base-Base interactions energy: -161.916
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.155
local terms energy: -69.594328
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -236.952610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.952610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.952610 (E_RNA)
where:
Base-Base interactions energy: -162.518
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.075
local terms energy: -74.358973
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -225.809271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.809271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.809271 (E_RNA)
where:
Base-Base interactions energy: -154.967
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.077
local terms energy: -70.765597
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.250
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -224.933153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.933153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933153 (E_RNA)
where:
Base-Base interactions energy: -149.923
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.046
local terms energy: -74.964229
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -220.649109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.649109 (E_RNA)
where:
Base-Base interactions energy: -150.269
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.003
local terms energy: -70.376843
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -160.785752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.785752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.785752 (E_RNA)
where:
Base-Base interactions energy: -95.928
where: short stacking energy: -36.266
Base-Backbone interact. energy: -0.364
local terms energy: -64.494548
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -138.609019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.609019 (E_RNA)
where:
Base-Base interactions energy: -86.155
where: short stacking energy: -44.187
Base-Backbone interact. energy: -0.133
local terms energy: -52.321415
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -9.614
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: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -90.997958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997958 (E_RNA)
where:
Base-Base interactions energy: -41.497
where: short stacking energy: -24.848
Base-Backbone interact. energy: -0.038
local terms energy: -49.463213
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -75.715107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.715107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.715107 (E_RNA)
where:
Base-Base interactions energy: -25.813
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.053
local terms energy: -49.848803
where:
bonds (distance) C4'-P energy: -7.741
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -245.232580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.232580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.232580 (E_RNA)
where:
Base-Base interactions energy: -160.000
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.001
local terms energy: -85.232144
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -20.541
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: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -233.316961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316961 (E_RNA)
where:
Base-Base interactions energy: -160.252
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.104
local terms energy: -72.961426
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -218.756955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756955 (E_RNA)
where:
Base-Base interactions energy: -151.446
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.090
local terms energy: -67.221536
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -233.548242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548242 (E_RNA)
where:
Base-Base interactions energy: -153.296
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.241
local terms energy: -80.011319
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -223.854996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.854996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.854996 (E_RNA)
where:
Base-Base interactions energy: -150.411
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.005
local terms energy: -73.439232
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.781
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: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -222.958668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.958668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.958668 (E_RNA)
where:
Base-Base interactions energy: -151.117
where: short stacking energy: -69.605
Base-Backbone interact. energy: -0.003
local terms energy: -71.838971
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -165.369110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.369110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.369110 (E_RNA)
where:
Base-Base interactions energy: -102.781
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.222
local terms energy: -62.366488
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -90.895931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.895931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.895931 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -35.165
Base-Backbone interact. energy: -0.375
local terms energy: -55.355646
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -79.834383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.834383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.834383 (E_RNA)
where:
Base-Base interactions energy: -27.297
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.258
local terms energy: -52.279602
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -77.121854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.121854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.121854 (E_RNA)
where:
Base-Base interactions energy: -26.181
where: short stacking energy: -21.217
Base-Backbone interact. energy: -0.318
local terms energy: -50.622824
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -3.965
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: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -241.353181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.353181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.353181 (E_RNA)
where:
Base-Base interactions energy: -163.025
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.002
local terms energy: -78.326124
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.697
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -232.561970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.561970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.561970 (E_RNA)
where:
Base-Base interactions energy: -155.073
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.057
local terms energy: -77.431992
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -229.418449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.418449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.418449 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -68.606
Base-Backbone interact. energy: 4.282
local terms energy: -77.375446
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -221.756295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.756295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.756295 (E_RNA)
where:
Base-Base interactions energy: -149.521
where: short stacking energy: -52.752
Base-Backbone interact. energy: -0.115
local terms energy: -72.119679
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -217.702908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.702908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.702908 (E_RNA)
where:
Base-Base interactions energy: -146.539
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.641
local terms energy: -70.522879
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.112
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: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -217.429025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.429025 (E_RNA)
where:
Base-Base interactions energy: -147.742
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.472
local terms energy: -69.215011
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -216.130475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.130475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.130475 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.395
local terms energy: -71.957913
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -19.874
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: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -92.461191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461191 (E_RNA)
where:
Base-Base interactions energy: -34.125
where: short stacking energy: -34.125
Base-Backbone interact. energy: -0.167
local terms energy: -58.169143
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -76.702423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.702423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.702423 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.061
local terms energy: -41.349489
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -80.311380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.311380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.311380 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -33.087
Base-Backbone interact. energy: -0.138
local terms energy: -47.086753
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -230.810874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.810874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.810874 (E_RNA)
where:
Base-Base interactions energy: -153.994
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.251
local terms energy: -76.565603
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -21.808
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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -232.279377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.279377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.279377 (E_RNA)
where:
Base-Base interactions energy: -152.372
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.024
local terms energy: -79.883284
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -231.084251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.084251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.084251 (E_RNA)
where:
Base-Base interactions energy: -155.620
where: short stacking energy: -67.516
Base-Backbone interact. energy: -0.004
local terms energy: -75.460369
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -230.105441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.105441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.105441 (E_RNA)
where:
Base-Base interactions energy: -160.577
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.098
local terms energy: -69.429483
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -223.111604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111604 (E_RNA)
where:
Base-Base interactions energy: -149.189
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.171
local terms energy: -73.751710
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -205.892509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.892509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.892509 (E_RNA)
where:
Base-Base interactions energy: -137.970
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.424
local terms energy: -67.498097
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -13.810
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: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -214.489108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489108 (E_RNA)
where:
Base-Base interactions energy: -156.776
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.240
local terms energy: -57.472334
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -15.879
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: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -76.692718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.692718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.692718 (E_RNA)
where:
Base-Base interactions energy: -28.762
where: short stacking energy: -27.692
Base-Backbone interact. energy: 0.523
local terms energy: -48.453555
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -80.333582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.333582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.333582 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.111
local terms energy: -45.914375
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -71.699175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.699175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.699175 (E_RNA)
where:
Base-Base interactions energy: -27.386
where: short stacking energy: -16.074
Base-Backbone interact. energy: -0.138
local terms energy: -44.175645
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -3.047
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: 462
Temperature: 0.900000
Total energy: -236.996461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.996461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.996461 (E_RNA)
where:
Base-Base interactions energy: -164.475
where: short stacking energy: -68.378
Base-Backbone interact. energy: -0.001
local terms energy: -72.520857
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -222.810194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.810194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.810194 (E_RNA)
where:
Base-Base interactions energy: -150.310
where: short stacking energy: -65.288
Base-Backbone interact. energy: 0.576
local terms energy: -73.076375
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -227.106091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.106091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.106091 (E_RNA)
where:
Base-Base interactions energy: -156.758
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.005
local terms energy: -70.343295
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -21.012
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: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -229.228813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.228813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.228813 (E_RNA)
where:
Base-Base interactions energy: -153.963
where: short stacking energy: -71.051
Base-Backbone interact. energy: -0.014
local terms energy: -75.251562
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -220.415698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.415698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.415698 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.281
local terms energy: -69.120253
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -20.440
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -212.903192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903192 (E_RNA)
where:
Base-Base interactions energy: -145.614
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.102
local terms energy: -67.187566
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -204.569498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.569498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.569498 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.001
local terms energy: -70.891209
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -20.468
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: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -93.279136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279136 (E_RNA)
where:
Base-Base interactions energy: -47.624
where: short stacking energy: -36.855
Base-Backbone interact. energy: -0.160
local terms energy: -45.494815
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -85.752215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752215 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -11.274
Base-Backbone interact. energy: -0.284
local terms energy: -51.002272
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: 0.548
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: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -82.925122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.925122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.925122 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -22.560
Base-Backbone interact. energy: -0.183
local terms energy: -49.655306
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -6.665
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: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -242.536543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.536543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.536543 (E_RNA)
where:
Base-Base interactions energy: -158.729
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.656
local terms energy: -83.151174
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -235.058624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.058624 (E_RNA)
where:
Base-Base interactions energy: -160.241
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.010
local terms energy: -74.807570
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -19.316
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: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -223.266808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.266808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.266808 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.045
local terms energy: -76.891194
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -234.786184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.786184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.786184 (E_RNA)
where:
Base-Base interactions energy: -159.938
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.005
local terms energy: -74.843131
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -17.759
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: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -209.869176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.869176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.869176 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.017
local terms energy: -62.233231
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -3.298
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: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -217.087965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.087965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087965 (E_RNA)
where:
Base-Base interactions energy: -142.426
where: short stacking energy: -62.094
Base-Backbone interact. energy: 1.392
local terms energy: -76.054100
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -20.900
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -212.410800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.410800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.410800 (E_RNA)
where:
Base-Base interactions energy: -147.008
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.448
local terms energy: -64.954910
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -8.170
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: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -95.851218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851218 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -17.234
Base-Backbone interact. energy: -0.244
local terms energy: -55.019534
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -82.259839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.259839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.259839 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -34.124
Base-Backbone interact. energy: 1.609
local terms energy: -46.633857
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -76.644409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.644409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.644409 (E_RNA)
where:
Base-Base interactions energy: -23.236
where: short stacking energy: -23.236
Base-Backbone interact. energy: 0.018
local terms energy: -53.426646
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -244.043423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.043423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.043423 (E_RNA)
where:
Base-Base interactions energy: -164.910
where: short stacking energy: -73.043
Base-Backbone interact. energy: -0.000
local terms energy: -79.133378
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -21.702
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: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -231.831734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.831734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.831734 (E_RNA)
where:
Base-Base interactions energy: -154.233
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.108
local terms energy: -77.490221
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -227.883080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.883080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.883080 (E_RNA)
where:
Base-Base interactions energy: -152.792
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.095
local terms energy: -74.996632
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -231.524890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.524890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.524890 (E_RNA)
where:
Base-Base interactions energy: -159.546
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.025
local terms energy: -71.954506
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -7.520
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: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -222.569024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.569024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.569024 (E_RNA)
where:
Base-Base interactions energy: -146.384
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.096
local terms energy: -76.088513
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -21.918
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -213.885283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.885283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.885283 (E_RNA)
where:
Base-Base interactions energy: -140.928
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.011
local terms energy: -72.946308
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -208.953852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.953852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.953852 (E_RNA)
where:
Base-Base interactions energy: -145.783
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.173
local terms energy: -62.998214
where:
bonds (distance) C4'-P energy: -6.213
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -89.593501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593501 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.119
local terms energy: -49.833511
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -6.642
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: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -88.728058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.728058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.728058 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.164
local terms energy: -53.689659
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -74.478882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.478882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.478882 (E_RNA)
where:
Base-Base interactions energy: -21.407
where: short stacking energy: -20.686
Base-Backbone interact. energy: -0.248
local terms energy: -52.823887
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -240.513379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.513379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.513379 (E_RNA)
where:
Base-Base interactions energy: -163.254
where: short stacking energy: -70.189
Base-Backbone interact. energy: 0.641
local terms energy: -77.899945
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -237.384897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.384897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.384897 (E_RNA)
where:
Base-Base interactions energy: -154.982
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.001
local terms energy: -82.401324
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -23.584
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: 465
Temperature: 1.000000
Total energy: -229.819486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.819486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819486 (E_RNA)
where:
Base-Base interactions energy: -156.288
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.015
local terms energy: -73.516396
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -228.476901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.476901 (E_RNA)
where:
Base-Base interactions energy: -153.569
where: short stacking energy: -69.726
Base-Backbone interact. energy: -0.001
local terms energy: -74.907533
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -223.970863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.970863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.970863 (E_RNA)
where:
Base-Base interactions energy: -146.110
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.024
local terms energy: -77.836732
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -212.718775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718775 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.243
local terms energy: -68.616739
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -211.234958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.234958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.234958 (E_RNA)
where:
Base-Base interactions energy: -137.787
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.388
local terms energy: -73.059563
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.956
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -80.681185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.681185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.681185 (E_RNA)
where:
Base-Base interactions energy: -30.203
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.082
local terms energy: -50.397145
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -80.441766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441766 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -29.705
Base-Backbone interact. energy: -0.100
local terms energy: -46.817060
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -79.070880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.070880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.070880 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -23.694
Base-Backbone interact. energy: 1.255
local terms energy: -55.014623
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -241.972730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.972730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.972730 (E_RNA)
where:
Base-Base interactions energy: -170.939
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.005
local terms energy: -71.029233
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -22.932
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -232.141146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.141146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.141146 (E_RNA)
where:
Base-Base interactions energy: -158.818
where: short stacking energy: -68.783
Base-Backbone interact. energy: -0.078
local terms energy: -73.245571
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -22.701
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: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -230.272923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.272923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.272923 (E_RNA)
where:
Base-Base interactions energy: -153.337
where: short stacking energy: -66.214
Base-Backbone interact. energy: -0.086
local terms energy: -76.849686
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -20.639
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -225.965183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.965183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.965183 (E_RNA)
where:
Base-Base interactions energy: -157.005
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.014
local terms energy: -68.945937
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -221.543118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543118 (E_RNA)
where:
Base-Base interactions energy: -151.182
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.050
local terms energy: -70.311176
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -18.478
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: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -206.486887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486887 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.063
local terms energy: -64.753753
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -202.033957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033957 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.055
local terms energy: -62.574624
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -79.228856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.228856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.228856 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -26.797
Base-Backbone interact. energy: 0.048
local terms energy: -52.479353
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -92.750851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750851 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.099
local terms energy: -57.320538
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -92.247883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.247883 (E_RNA)
where:
Base-Base interactions energy: -54.168
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.224
local terms energy: -37.856454
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -3.019
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: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -236.886171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.886171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.886171 (E_RNA)
where:
Base-Base interactions energy: -163.829
where: short stacking energy: -66.990
Base-Backbone interact. energy: 0.649
local terms energy: -73.706388
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -6.424
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: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -233.712170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.712170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.712170 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -61.263
Base-Backbone interact. energy: -0.344
local terms energy: -76.205548
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -227.311727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311727 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -67.082
Base-Backbone interact. energy: 0.514
local terms energy: -76.946629
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -218.547073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.547073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.547073 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.044
local terms energy: -69.797986
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -217.677122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677122 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.029
local terms energy: -74.696426
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -220.466410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.466410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.466410 (E_RNA)
where:
Base-Base interactions energy: -149.685
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.178
local terms energy: -70.603979
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -212.555098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.555098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.555098 (E_RNA)
where:
Base-Base interactions energy: -144.187
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.006
local terms energy: -68.361361
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -12.676
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: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -92.642160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642160 (E_RNA)
where:
Base-Base interactions energy: -35.707
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.045
local terms energy: -56.890147
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.232094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.232094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.232094 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -38.970
Base-Backbone interact. energy: -0.112
local terms energy: -50.158671
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -10.411
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: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -109.381644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381644 (E_RNA)
where:
Base-Base interactions energy: -62.809
where: short stacking energy: -33.176
Base-Backbone interact. energy: 0.159
local terms energy: -46.731703
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -5.926
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: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -235.573383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.573383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.573383 (E_RNA)
where:
Base-Base interactions energy: -158.546
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.776
local terms energy: -76.251173
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -238.881595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.881595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.881595 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.015
local terms energy: -79.967632
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -21.803
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: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -241.050821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.050821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.050821 (E_RNA)
where:
Base-Base interactions energy: -161.026
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.132
local terms energy: -79.893282
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -218.211638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.211638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.211638 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.200
local terms energy: -76.942467
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -20.158
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: 468
Temperature: 1.100000
Total energy: -217.600523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600523 (E_RNA)
where:
Base-Base interactions energy: -143.564
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.171
local terms energy: -73.865630
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -218.399953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.399953 (E_RNA)
where:
Base-Base interactions energy: -146.993
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.069
local terms energy: -71.337583
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -90.311949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.311949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.311949 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -29.870
Base-Backbone interact. energy: 0.667
local terms energy: -54.447907
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -217.710382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.710382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.710382 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.008
local terms energy: -67.457310
where:
bonds (distance) C4'-P energy: -6.091
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -19.963
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: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -71.897415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.897415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.897415 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.286
local terms energy: -45.203787
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -78.886869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886869 (E_RNA)
where:
Base-Base interactions energy: -32.735
where: short stacking energy: -28.772
Base-Backbone interact. energy: -0.013
local terms energy: -46.139190
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -240.356282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.356282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.356282 (E_RNA)
where:
Base-Base interactions energy: -159.546
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.002
local terms energy: -80.808253
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -235.637129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.637129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.637129 (E_RNA)
where:
Base-Base interactions energy: -158.001
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.007
local terms energy: -77.628840
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -24.111
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: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -232.080137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.080137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.080137 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.050
local terms energy: -74.115141
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -227.804246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.804246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.804246 (E_RNA)
where:
Base-Base interactions energy: -150.692
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.089
local terms energy: -77.023611
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -220.136866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.136866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136866 (E_RNA)
where:
Base-Base interactions energy: -148.485
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.007
local terms energy: -71.644709
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -207.386121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386121 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.122
local terms energy: -69.935829
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -81.520659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520659 (E_RNA)
where:
Base-Base interactions energy: -26.486
where: short stacking energy: -23.230
Base-Backbone interact. energy: -0.258
local terms energy: -54.776063
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -1.550
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: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -210.928922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.928922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.928922 (E_RNA)
where:
Base-Base interactions energy: -142.902
where: short stacking energy: -56.444
Base-Backbone interact. energy: 0.704
local terms energy: -68.730443
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -77.969702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969702 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -10.845
Base-Backbone interact. energy: -0.665
local terms energy: -38.975828
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.078
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: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -75.691672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.691672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.691672 (E_RNA)
where:
Base-Base interactions energy: -35.724
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.070
local terms energy: -39.897449
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -236.598026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.598026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.598026 (E_RNA)
where:
Base-Base interactions energy: -161.941
where: short stacking energy: -65.343
Base-Backbone interact. energy: 1.264
local terms energy: -75.920327
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.843
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: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -229.402365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.402365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.402365 (E_RNA)
where:
Base-Base interactions energy: -146.936
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.022
local terms energy: -82.443966
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -234.484312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.484312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.484312 (E_RNA)
where:
Base-Base interactions energy: -163.334
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.012
local terms energy: -71.137756
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -224.504535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.504535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.504535 (E_RNA)
where:
Base-Base interactions energy: -151.846
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.452
local terms energy: -72.206614
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -221.515083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.515083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.515083 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.002
local terms energy: -68.392690
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -219.700808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.700808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.700808 (E_RNA)
where:
Base-Base interactions energy: -149.563
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.050
local terms energy: -70.087239
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -17.884
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -171.000210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.000210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.000210 (E_RNA)
where:
Base-Base interactions energy: -121.206
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.361
local terms energy: -49.433569
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -4.937
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -106.574820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.574820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.574820 (E_RNA)
where:
Base-Base interactions energy: -54.494
where: short stacking energy: -24.877
Base-Backbone interact. energy: -0.161
local terms energy: -51.920162
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.385375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.385375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.385375 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.109
local terms energy: -52.378165
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -1.016
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -80.752839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752839 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.085
local terms energy: -47.574285
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -244.204020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.204020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.204020 (E_RNA)
where:
Base-Base interactions energy: -165.009
where: short stacking energy: -68.515
Base-Backbone interact. energy: 0.940
local terms energy: -80.134761
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -21.994
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: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -240.310329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.310329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.310329 (E_RNA)
where:
Base-Base interactions energy: -162.106
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.581
local terms energy: -77.623161
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -227.706435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.706435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.706435 (E_RNA)
where:
Base-Base interactions energy: -155.657
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.011
local terms energy: -72.038538
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.867
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: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -220.449827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.449827 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.380
local terms energy: -73.230883
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -221.982502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.982502 (E_RNA)
where:
Base-Base interactions energy: -153.654
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.025
local terms energy: -68.303223
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -20.427
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: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -181.031692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.031692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.031692 (E_RNA)
where:
Base-Base interactions energy: -111.656
where: short stacking energy: -52.289
Base-Backbone interact. energy: -0.292
local terms energy: -69.083450
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -13.617
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: 471
Temperature: 1.200000
Total energy: -217.899630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899630 (E_RNA)
where:
Base-Base interactions energy: -140.270
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.030
local terms energy: -77.599753
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -118.905337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.905337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.905337 (E_RNA)
where:
Base-Base interactions energy: -78.902
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.370
local terms energy: -39.633419
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -6.998
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -79.234597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.234597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.234597 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -29.390
Base-Backbone interact. energy: 0.080
local terms energy: -49.924079
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: 0.409
tors. eta vs tors. theta energy: -9.626
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: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -80.474595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.474595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.474595 (E_RNA)
where:
Base-Base interactions energy: -29.128
where: short stacking energy: -23.019
Base-Backbone interact. energy: 0.490
local terms energy: -51.836334
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -231.634424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.634424 (E_RNA)
where:
Base-Base interactions energy: -150.983
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.125
local terms energy: -80.526519
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -239.370692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.370692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.370692 (E_RNA)
where:
Base-Base interactions energy: -158.109
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.191
local terms energy: -81.070966
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -23.527
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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -227.005698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.005698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.005698 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.092
local terms energy: -72.005763
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -224.368979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.368979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.368979 (E_RNA)
where:
Base-Base interactions energy: -151.180
where: short stacking energy: -68.352
Base-Backbone interact. energy: -0.025
local terms energy: -73.164093
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.464
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: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -217.664506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.664506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.664506 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.743
local terms energy: -72.559324
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -203.917938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917938 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.010
local terms energy: -67.312896
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -218.242861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242861 (E_RNA)
where:
Base-Base interactions energy: -143.181
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.034
local terms energy: -75.028325
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -20.789
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: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -138.962232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.962232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.962232 (E_RNA)
where:
Base-Base interactions energy: -83.410
where: short stacking energy: -36.021
Base-Backbone interact. energy: 0.201
local terms energy: -55.753830
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -114.601342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.601342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.601342 (E_RNA)
where:
Base-Base interactions energy: -73.595
where: short stacking energy: -33.932
Base-Backbone interact. energy: 1.247
local terms energy: -42.253465
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -5.271
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: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -78.697699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.697699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.697699 (E_RNA)
where:
Base-Base interactions energy: -24.637
where: short stacking energy: -24.637
Base-Backbone interact. energy: 0.055
local terms energy: -54.115070
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -236.778775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.778775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778775 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.018
local terms energy: -83.298949
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -13.120
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: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -236.208764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.208764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.208764 (E_RNA)
where:
Base-Base interactions energy: -154.201
where: short stacking energy: -73.460
Base-Backbone interact. energy: -0.009
local terms energy: -81.999499
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -231.887328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.887328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.887328 (E_RNA)
where:
Base-Base interactions energy: -156.535
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.009
local terms energy: -75.342814
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -225.163219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.163219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163219 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.004
local terms energy: -75.201806
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -20.936
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -220.904240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.904240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.904240 (E_RNA)
where:
Base-Base interactions energy: -152.880
where: short stacking energy: -62.465
Base-Backbone interact. energy: 0.091
local terms energy: -68.114512
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -217.763219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763219 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.055
local terms energy: -67.041379
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -215.964200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.964200 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.434
local terms energy: -69.483652
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -18.913
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -138.594029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.594029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.594029 (E_RNA)
where:
Base-Base interactions energy: -85.256
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.972
local terms energy: -52.366246
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -144.915446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.915446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.915446 (E_RNA)
where:
Base-Base interactions energy: -88.452
where: short stacking energy: -45.682
Base-Backbone interact. energy: 0.086
local terms energy: -56.549973
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -73.517837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.517837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.517837 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -25.527
Base-Backbone interact. energy: -0.294
local terms energy: -46.805712
where:
bonds (distance) C4'-P energy: -5.669
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -3.117
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: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -239.080889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.080889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.080889 (E_RNA)
where:
Base-Base interactions energy: -166.674
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.081
local terms energy: -72.325709
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -231.044242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.044242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.044242 (E_RNA)
where:
Base-Base interactions energy: -154.618
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.227
local terms energy: -76.199401
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -237.478048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.478048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.478048 (E_RNA)
where:
Base-Base interactions energy: -159.781
where: short stacking energy: -71.256
Base-Backbone interact. energy: 0.521
local terms energy: -78.218106
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.614
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: 474
Temperature: 1.050000
Total energy: -229.657651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657651 (E_RNA)
where:
Base-Base interactions energy: -156.277
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.017
local terms energy: -73.363960
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -226.443393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.443393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.443393 (E_RNA)
where:
Base-Base interactions energy: -147.106
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.079
local terms energy: -79.257754
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -215.831614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.831614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.831614 (E_RNA)
where:
Base-Base interactions energy: -147.418
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.365
local terms energy: -68.048587
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -18.468
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: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -214.702758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.702758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.702758 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.098
local terms energy: -69.672345
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.286
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -132.993011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.993011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.993011 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.201
local terms energy: -52.165699
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -126.956910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.956910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.956910 (E_RNA)
where:
Base-Base interactions energy: -71.016
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.482
local terms energy: -55.458595
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.405893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.405893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.405893 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.365
local terms energy: -40.553593
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: 2.153
tors. eta vs tors. theta energy: -1.445
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: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -234.051875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.051875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.051875 (E_RNA)
where:
Base-Base interactions energy: -154.042
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.005
local terms energy: -80.004684
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.891
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -242.859065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.859065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.859065 (E_RNA)
where:
Base-Base interactions energy: -168.179
where: short stacking energy: -72.624
Base-Backbone interact. energy: -0.243
local terms energy: -74.436639
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -225.439875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.439875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.439875 (E_RNA)
where:
Base-Base interactions energy: -150.984
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.002
local terms energy: -74.453252
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -20.773
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: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -217.855673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.855673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.855673 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.040
local terms energy: -67.720326
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -214.801851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801851 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.257
local terms energy: -71.732915
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -14.627
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -221.081908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.081908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.081908 (E_RNA)
where:
Base-Base interactions energy: -150.851
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.130
local terms energy: -70.100863
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -219.110380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.110380 (E_RNA)
where:
Base-Base interactions energy: -153.108
where: short stacking energy: -67.138
Base-Backbone interact. energy: 0.749
local terms energy: -66.750744
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -19.791
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: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -151.197194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.197194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.197194 (E_RNA)
where:
Base-Base interactions energy: -87.622
where: short stacking energy: -35.381
Base-Backbone interact. energy: 1.418
local terms energy: -64.993005
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -135.827220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.827220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.827220 (E_RNA)
where:
Base-Base interactions energy: -81.928
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.314
local terms energy: -53.584940
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -79.106127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.106127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.106127 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.139
local terms energy: -50.904162
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -239.153586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.153586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.153586 (E_RNA)
where:
Base-Base interactions energy: -161.702
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.016
local terms energy: -77.435700
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -235.940565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.940565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.940565 (E_RNA)
where:
Base-Base interactions energy: -159.472
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.166
local terms energy: -76.302730
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -229.139839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.139839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.139839 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.004
local terms energy: -77.766812
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -209.945299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.945299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.945299 (E_RNA)
where:
Base-Base interactions energy: -139.250
where: short stacking energy: -55.608
Base-Backbone interact. energy: -0.008
local terms energy: -70.687049
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -234.471270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.471270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.471270 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.011
local terms energy: -81.673937
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -219.239101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.239101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.239101 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.238
local terms energy: -75.876532
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -20.040
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: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -163.925746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.925746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.925746 (E_RNA)
where:
Base-Base interactions energy: -104.388
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.164
local terms energy: -59.373772
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.092
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: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -204.990211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.990211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.990211 (E_RNA)
where:
Base-Base interactions energy: -138.195
where: short stacking energy: -60.987
Base-Backbone interact. energy: 0.654
local terms energy: -67.449478
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -18.376
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -131.723463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.723463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.723463 (E_RNA)
where:
Base-Base interactions energy: -73.215
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.146
local terms energy: -58.362480
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -1.798
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: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -79.714795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714795 (E_RNA)
where:
Base-Base interactions energy: -25.362
where: short stacking energy: -23.732
Base-Backbone interact. energy: 0.546
local terms energy: -54.898244
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -3.047
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: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -234.864343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864343 (E_RNA)
where:
Base-Base interactions energy: -161.084
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.020
local terms energy: -73.760398
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -231.095516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.095516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.095516 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.842
local terms energy: -73.682837
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -19.612
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: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -227.928742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.928742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.928742 (E_RNA)
where:
Base-Base interactions energy: -154.351
where: short stacking energy: -66.931
Base-Backbone interact. energy: 0.198
local terms energy: -73.774921
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -223.507840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.507840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.507840 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.003
local terms energy: -79.419284
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -22.269
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: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -223.121036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.121036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.121036 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.042
local terms energy: -66.397118
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -219.614049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.614049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.614049 (E_RNA)
where:
Base-Base interactions energy: -152.953
where: short stacking energy: -59.561
Base-Backbone interact. energy: 0.001
local terms energy: -66.661749
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -134.584051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.584051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.584051 (E_RNA)
where:
Base-Base interactions energy: -80.508
where: short stacking energy: -38.251
Base-Backbone interact. energy: -0.005
local terms energy: -54.070376
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -202.849245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.849245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849245 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.157
local terms energy: -65.525326
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -96.783634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783634 (E_RNA)
where:
Base-Base interactions energy: -50.714
where: short stacking energy: -29.012
Base-Backbone interact. energy: -0.332
local terms energy: -45.737562
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -70.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.574946 (E_RNA)
where:
Base-Base interactions energy: -22.346
where: short stacking energy: -22.346
Base-Backbone interact. energy: 0.036
local terms energy: -48.264889
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -240.503526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503526 (E_RNA)
where:
Base-Base interactions energy: -164.750
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.003
local terms energy: -75.750989
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -21.973
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: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -234.032760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.032760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.032760 (E_RNA)
where:
Base-Base interactions energy: -160.013
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.007
local terms energy: -74.013038
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.011
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: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -228.445391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.445391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.445391 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.042
local terms energy: -77.821584
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -226.673801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.673801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.673801 (E_RNA)
where:
Base-Base interactions energy: -158.367
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.118
local terms energy: -68.188211
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -22.940
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: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -233.002627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.002627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.002627 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.016
local terms energy: -80.932102
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -217.969155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.969155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.969155 (E_RNA)
where:
Base-Base interactions energy: -151.102
where: short stacking energy: -64.102
Base-Backbone interact. energy: 1.008
local terms energy: -67.875482
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -157.993639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993639 (E_RNA)
where:
Base-Base interactions energy: -96.463
where: short stacking energy: -44.424
Base-Backbone interact. energy: -0.412
local terms energy: -61.119007
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -6.528
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: 478
Temperature: 1.250000
Total energy: -97.414609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.414609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.414609 (E_RNA)
where:
Base-Base interactions energy: -37.309
where: short stacking energy: -31.452
Base-Backbone interact. energy: -0.127
local terms energy: -59.979204
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -3.673
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -85.764570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764570 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -23.466
Base-Backbone interact. energy: 5.628
local terms energy: -50.628406
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -81.166386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.166386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.166386 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.129
local terms energy: -42.922943
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -3.140
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -239.647371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.647371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.647371 (E_RNA)
where:
Base-Base interactions energy: -162.696
where: short stacking energy: -76.301
Base-Backbone interact. energy: -0.009
local terms energy: -76.942685
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -232.201868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.201868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.201868 (E_RNA)
where:
Base-Base interactions energy: -158.981
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.090
local terms energy: -73.130793
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -20.868
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: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -238.553427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.553427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.553427 (E_RNA)
where:
Base-Base interactions energy: -157.683
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.001
local terms energy: -80.869973
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -230.443276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.443276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.443276 (E_RNA)
where:
Base-Base interactions energy: -153.865
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.138
local terms energy: -76.440371
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -215.375639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.375639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.375639 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.002
local terms energy: -72.561896
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -199.395724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.395724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.395724 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.071
local terms energy: -64.132796
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -153.579773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.579773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.579773 (E_RNA)
where:
Base-Base interactions energy: -92.551
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.061
local terms energy: -60.967865
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -94.104159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104159 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -37.893
Base-Backbone interact. energy: -0.153
local terms energy: -50.636255
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -90.058645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.058645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.058645 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -31.600
Base-Backbone interact. energy: -0.037
local terms energy: -58.421509
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -90.152449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.152449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.152449 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.020
local terms energy: -59.805189
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -12.061
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: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -236.832722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.832722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.832722 (E_RNA)
where:
Base-Base interactions energy: -158.042
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.911
local terms energy: -77.879983
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -21.567
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: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -236.250558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.250558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.250558 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.337
local terms energy: -84.407345
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -12.952
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: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -230.354927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.354927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.354927 (E_RNA)
where:
Base-Base interactions energy: -152.183
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.040
local terms energy: -78.131691
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -229.268222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.268222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.268222 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -65.036
Base-Backbone interact. energy: -0.009
local terms energy: -78.953165
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -22.228
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -219.256609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.256609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.256609 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.002
local terms energy: -71.021747
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -210.008406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008406 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.009
local terms energy: -72.560766
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -147.382977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.382977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.382977 (E_RNA)
where:
Base-Base interactions energy: -88.703
where: short stacking energy: -37.733
Base-Backbone interact. energy: -0.274
local terms energy: -58.405568
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -9.376
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -91.579718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579718 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.123
local terms energy: -47.948021
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -8.225
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.977603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.977603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.977603 (E_RNA)
where:
Base-Base interactions energy: -25.068
where: short stacking energy: -23.108
Base-Backbone interact. energy: -0.027
local terms energy: -54.882635
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -4.501
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: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -81.093532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093532 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.030
local terms energy: -49.330874
where:
bonds (distance) C4'-P energy: -4.530
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -233.073117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.073117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.073117 (E_RNA)
where:
Base-Base interactions energy: -162.670
where: short stacking energy: -72.659
Base-Backbone interact. energy: -0.003
local terms energy: -70.400588
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -21.920
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: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -231.304752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.304752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304752 (E_RNA)
where:
Base-Base interactions energy: -159.064
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.088
local terms energy: -72.152499
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -233.720354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.720354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.720354 (E_RNA)
where:
Base-Base interactions energy: -152.846
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.242
local terms energy: -80.633008
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -232.807672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.807672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.807672 (E_RNA)
where:
Base-Base interactions energy: -154.511
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.012
local terms energy: -78.284940
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -24.496
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: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -214.120936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.120936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.120936 (E_RNA)
where:
Base-Base interactions energy: -149.016
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.274
local terms energy: -64.830583
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -12.741
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -211.431580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.431580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.431580 (E_RNA)
where:
Base-Base interactions energy: -144.968
where: short stacking energy: -66.014
Base-Backbone interact. energy: -0.067
local terms energy: -66.396242
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -142.819022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.819022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.819022 (E_RNA)
where:
Base-Base interactions energy: -84.919
where: short stacking energy: -48.149
Base-Backbone interact. energy: 1.279
local terms energy: -59.178665
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -83.697920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.697920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.697920 (E_RNA)
where:
Base-Base interactions energy: -28.539
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.140
local terms energy: -55.018628
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -75.566445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.566445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.566445 (E_RNA)
where:
Base-Base interactions energy: -31.747
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.156
local terms energy: -43.662596
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -72.929210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.929210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.929210 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -14.793
Base-Backbone interact. energy: -0.227
local terms energy: -43.084101
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -0.917
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: 482
Temperature: 0.900000
Total energy: -232.329356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.329356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.329356 (E_RNA)
where:
Base-Base interactions energy: -159.374
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.070
local terms energy: -72.884998
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -237.147779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.147779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.147779 (E_RNA)
where:
Base-Base interactions energy: -160.842
where: short stacking energy: -69.466
Base-Backbone interact. energy: 1.144
local terms energy: -77.450209
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -229.900927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.900927 (E_RNA)
where:
Base-Base interactions energy: -147.464
where: short stacking energy: -59.673
Base-Backbone interact. energy: 0.682
local terms energy: -83.119159
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -20.327
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: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -224.495552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.495552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.495552 (E_RNA)
where:
Base-Base interactions energy: -154.144
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.652
local terms energy: -69.699924
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -217.730785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.730785 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -63.291
Base-Backbone interact. energy: -0.025
local terms energy: -66.331198
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -19.113
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -219.895114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895114 (E_RNA)
where:
Base-Base interactions energy: -141.340
where: short stacking energy: -51.168
Base-Backbone interact. energy: -0.374
local terms energy: -78.181327
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.473
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: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -141.733052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.733052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.733052 (E_RNA)
where:
Base-Base interactions energy: -90.318
where: short stacking energy: -43.644
Base-Backbone interact. energy: -0.250
local terms energy: -51.165470
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -5.236
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: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -83.636282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.636282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.636282 (E_RNA)
where:
Base-Base interactions energy: -28.407
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.735
local terms energy: -54.494995
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -9.632
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: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -87.128809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.128809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.128809 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -13.160
Base-Backbone interact. energy: -1.161
local terms energy: -48.870664
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -77.261479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.261479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.261479 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -31.485
Base-Backbone interact. energy: -0.046
local terms energy: -42.717636
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -9.422
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: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -240.613200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.613200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.613200 (E_RNA)
where:
Base-Base interactions energy: -158.640
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.003
local terms energy: -81.969865
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -20.294
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -233.291641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.291641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.291641 (E_RNA)
where:
Base-Base interactions energy: -153.406
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.169
local terms energy: -79.716805
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -225.603062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.603062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.603062 (E_RNA)
where:
Base-Base interactions energy: -157.708
where: short stacking energy: -65.797
Base-Backbone interact. energy: -0.148
local terms energy: -67.747185
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -18.397
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: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -229.816254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.816254 (E_RNA)
where:
Base-Base interactions energy: -155.756
where: short stacking energy: -71.536
Base-Backbone interact. energy: -0.001
local terms energy: -74.059525
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -230.521899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.521899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.521899 (E_RNA)
where:
Base-Base interactions energy: -155.437
where: short stacking energy: -65.830
Base-Backbone interact. energy: 0.420
local terms energy: -75.503984
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -209.166532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166532 (E_RNA)
where:
Base-Base interactions energy: -151.119
where: short stacking energy: -58.869
Base-Backbone interact. energy: 1.201
local terms energy: -59.248739
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -160.903885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.903885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.903885 (E_RNA)
where:
Base-Base interactions energy: -102.200
where: short stacking energy: -39.253
Base-Backbone interact. energy: -0.161
local terms energy: -58.542480
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -6.411
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: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -85.067848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067848 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.242
local terms energy: -55.736742
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -74.530603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.530603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.530603 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.010
local terms energy: -46.373115
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.132
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: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -80.006950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006950 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.040
local terms energy: -47.693159
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -3.458
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: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -241.284485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.284485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.284485 (E_RNA)
where:
Base-Base interactions energy: -163.012
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.090
local terms energy: -78.182890
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -232.639068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.639068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.639068 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.106
local terms energy: -76.857852
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.507
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: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -230.973131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.973131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.973131 (E_RNA)
where:
Base-Base interactions energy: -158.170
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.452
local terms energy: -72.351205
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -18.832
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: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -222.017701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.017701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.017701 (E_RNA)
where:
Base-Base interactions energy: -147.165
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.101
local terms energy: -74.751675
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -12.589
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: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -217.015623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.015623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.015623 (E_RNA)
where:
Base-Base interactions energy: -147.796
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.081
local terms energy: -69.138852
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.626
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: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -217.282134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.282134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.282134 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.001
local terms energy: -72.534054
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -20.971
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: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -188.791293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.791293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.791293 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -48.388
Base-Backbone interact. energy: 1.579
local terms energy: -67.026986
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -91.290362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290362 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -23.867
Base-Backbone interact. energy: 1.024
local terms energy: -56.500329
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -77.952503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.952503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.952503 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -30.948
Base-Backbone interact. energy: -0.146
local terms energy: -46.859200
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -69.505427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.505427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.505427 (E_RNA)
where:
Base-Base interactions energy: -20.742
where: short stacking energy: -18.867
Base-Backbone interact. energy: 0.085
local terms energy: -48.847630
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -247.177699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.177699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.177699 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.042
local terms energy: -84.304186
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -21.973
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: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -235.919819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.919819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.919819 (E_RNA)
where:
Base-Base interactions energy: -160.315
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.004
local terms energy: -75.600555
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -230.751065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.751065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.751065 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.146
local terms energy: -75.036052
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -219.569865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569865 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.050
local terms energy: -66.320578
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -11.298
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: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -222.751361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.751361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.751361 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.330
local terms energy: -78.245531
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.528
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: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -216.562334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.562334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.562334 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -63.791
Base-Backbone interact. energy: -0.172
local terms energy: -71.963516
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -203.229045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.229045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.229045 (E_RNA)
where:
Base-Base interactions energy: -136.283
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.019
local terms energy: -66.926167
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -87.589427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589427 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.832
local terms energy: -53.286405
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -76.163898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163898 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -23.470
Base-Backbone interact. energy: -0.056
local terms energy: -48.612002
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -71.545950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.545950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.545950 (E_RNA)
where:
Base-Base interactions energy: -21.631
where: short stacking energy: -21.631
Base-Backbone interact. energy: -0.031
local terms energy: -49.883856
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -236.682153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.682153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.682153 (E_RNA)
where:
Base-Base interactions energy: -155.076
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.123
local terms energy: -81.483310
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -232.794207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.794207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.794207 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -72.286
Base-Backbone interact. energy: -0.004
local terms energy: -82.775697
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -222.256010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.256010 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -57.302
Base-Backbone interact. energy: -0.025
local terms energy: -67.745988
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -219.565418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.565418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.565418 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.370
local terms energy: -75.908657
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -224.409520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409520 (E_RNA)
where:
Base-Base interactions energy: -151.740
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.006
local terms energy: -72.663697
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.524
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: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -218.261414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.261414 (E_RNA)
where:
Base-Base interactions energy: -146.051
where: short stacking energy: -66.195
Base-Backbone interact. energy: -0.002
local terms energy: -72.208110
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.873
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: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -216.300363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300363 (E_RNA)
where:
Base-Base interactions energy: -147.373
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.042
local terms energy: -68.884851
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -111.243464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.243464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.243464 (E_RNA)
where:
Base-Base interactions energy: -70.045
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.175
local terms energy: -41.023714
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -5.281
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: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -76.191540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.191540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.191540 (E_RNA)
where:
Base-Base interactions energy: -21.193
where: short stacking energy: -21.193
Base-Backbone interact. energy: 0.331
local terms energy: -55.330046
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -4.198
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: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -81.697098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697098 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -20.843
Base-Backbone interact. energy: -0.120
local terms energy: -52.926171
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -237.602049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.602049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.602049 (E_RNA)
where:
Base-Base interactions energy: -160.890
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.014
local terms energy: -76.697293
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -21.370
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: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -229.729018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.729018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.729018 (E_RNA)
where:
Base-Base interactions energy: -157.596
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.041
local terms energy: -72.092102
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -230.880142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.880142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.880142 (E_RNA)
where:
Base-Base interactions energy: -150.258
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.007
local terms energy: -80.614708
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -22.038
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: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -233.193619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.193619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.193619 (E_RNA)
where:
Base-Base interactions energy: -156.754
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.017
local terms energy: -76.422277
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -223.310322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310322 (E_RNA)
where:
Base-Base interactions energy: -153.977
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.025
local terms energy: -69.308169
where:
bonds (distance) C4'-P energy: -7.090
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -222.793464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.793464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.793464 (E_RNA)
where:
Base-Base interactions energy: -146.779
where: short stacking energy: -66.414
Base-Backbone interact. energy: -0.100
local terms energy: -75.914409
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -211.396525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396525 (E_RNA)
where:
Base-Base interactions energy: -148.869
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.037
local terms energy: -62.490615
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -93.863166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.863166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.863166 (E_RNA)
where:
Base-Base interactions energy: -41.078
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.193
local terms energy: -52.592931
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -116.666772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.666772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.666772 (E_RNA)
where:
Base-Base interactions energy: -56.019
where: short stacking energy: -30.834
Base-Backbone interact. energy: -1.705
local terms energy: -58.942442
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -4.918
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: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -79.054235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054235 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -19.867
Base-Backbone interact. energy: -1.032
local terms energy: -44.780887
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -8.148
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: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -239.212222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.212222 (E_RNA)
where:
Base-Base interactions energy: -160.450
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.004
local terms energy: -78.757878
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -231.549089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.549089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.549089 (E_RNA)
where:
Base-Base interactions energy: -163.748
where: short stacking energy: -62.815
Base-Backbone interact. energy: -0.220
local terms energy: -67.581192
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -235.539791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.539791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.539791 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.259
local terms energy: -80.592089
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.037
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: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -222.457678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.457678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.457678 (E_RNA)
where:
Base-Base interactions energy: -147.317
where: short stacking energy: -63.271
Base-Backbone interact. energy: 0.021
local terms energy: -75.161898
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -221.688386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.688386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.688386 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -65.460
Base-Backbone interact. energy: 2.668
local terms energy: -72.559867
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -13.099
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: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -216.449324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449324 (E_RNA)
where:
Base-Base interactions energy: -145.959
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.151
local terms energy: -70.339630
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -202.536670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.536670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.536670 (E_RNA)
where:
Base-Base interactions energy: -134.265
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.311
local terms energy: -67.960902
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.905
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: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -88.677822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.677822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.677822 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.216
local terms energy: -52.065732
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -2.952
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -85.766072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766072 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -25.317
Base-Backbone interact. energy: 0.313
local terms energy: -42.972898
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: 3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -77.765984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.765984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.765984 (E_RNA)
where:
Base-Base interactions energy: -26.478
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.091
local terms energy: -51.197389
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -238.756565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.756565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.756565 (E_RNA)
where:
Base-Base interactions energy: -166.608
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.052
local terms energy: -72.096962
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -233.769621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.769621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.769621 (E_RNA)
where:
Base-Base interactions energy: -153.776
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.219
local terms energy: -79.774999
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -228.327150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.327150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.327150 (E_RNA)
where:
Base-Base interactions energy: -155.685
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.039
local terms energy: -72.603681
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -224.516701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.516701 (E_RNA)
where:
Base-Base interactions energy: -155.581
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.001
local terms energy: -68.935029
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -17.740
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: 489
Temperature: 1.100000
Total energy: -228.526729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.526729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.526729 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.579
local terms energy: -76.485915
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -13.931
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: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -216.621227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.621227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.621227 (E_RNA)
where:
Base-Base interactions energy: -154.132
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.025
local terms energy: -62.463999
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -14.529
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: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -210.781884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.781884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781884 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.144
local terms energy: -64.605744
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -16.653
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: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -87.018787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018787 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.244
local terms energy: -53.137414
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -105.495510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.495510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.495510 (E_RNA)
where:
Base-Base interactions energy: -59.199
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.072
local terms energy: -46.224698
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -3.710
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: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -68.602702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.602702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.602702 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -23.101
Base-Backbone interact. energy: 0.217
local terms energy: -43.914939
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: 1.044
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: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -236.631952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.631952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.631952 (E_RNA)
where:
Base-Base interactions energy: -165.036
where: short stacking energy: -70.984
Base-Backbone interact. energy: 0.283
local terms energy: -71.879381
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -22.838
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: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -238.431879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.431879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.431879 (E_RNA)
where:
Base-Base interactions energy: -161.277
where: short stacking energy: -68.110
Base-Backbone interact. energy: -0.751
local terms energy: -76.403578
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -229.703814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.703814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.703814 (E_RNA)
where:
Base-Base interactions energy: -153.579
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.002
local terms energy: -76.122866
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -221.238515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.238515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.238515 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.102
local terms energy: -71.093638
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -17.438
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -223.229199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.229199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.229199 (E_RNA)
where:
Base-Base interactions energy: -146.654
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.007
local terms energy: -76.568218
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -23.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -218.717966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.717966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.717966 (E_RNA)
where:
Base-Base interactions energy: -150.976
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.183
local terms energy: -67.558949
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -211.385190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.385190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.385190 (E_RNA)
where:
Base-Base interactions energy: -144.355
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.372
local terms energy: -66.658268
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -90.937461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.937461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.937461 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.103
local terms energy: -56.925047
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -147.725199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.725199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.725199 (E_RNA)
where:
Base-Base interactions energy: -95.518
where: short stacking energy: -41.834
Base-Backbone interact. energy: -0.421
local terms energy: -51.786946
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.812
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: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -71.443657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.443657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.443657 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.010
local terms energy: -38.183222
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -0.241
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: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -238.792813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.792813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.792813 (E_RNA)
where:
Base-Base interactions energy: -157.063
where: short stacking energy: -69.557
Base-Backbone interact. energy: -0.632
local terms energy: -81.097872
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -235.788308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.788308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.788308 (E_RNA)
where:
Base-Base interactions energy: -161.896
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.533
local terms energy: -73.359420
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -5.840
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: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -231.722136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.722136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.722136 (E_RNA)
where:
Base-Base interactions energy: -159.869
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.122
local terms energy: -71.731013
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -226.860775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.860775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.860775 (E_RNA)
where:
Base-Base interactions energy: -151.360
where: short stacking energy: -67.705
Base-Backbone interact. energy: 0.035
local terms energy: -75.535730
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -213.289271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.289271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.289271 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -57.944
Base-Backbone interact. energy: 1.445
local terms energy: -77.168538
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -17.498
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: 491
Temperature: 1.150000
Total energy: -202.204187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.204187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.204187 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.310
local terms energy: -67.345722
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -17.573
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -220.311394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311394 (E_RNA)
where:
Base-Base interactions energy: -149.556
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.109
local terms energy: -70.645839
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -144.419745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.419745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.419745 (E_RNA)
where:
Base-Base interactions energy: -89.844
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.258
local terms energy: -54.317776
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -7.773
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: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -74.669421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.669421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.669421 (E_RNA)
where:
Base-Base interactions energy: -24.998
where: short stacking energy: -24.769
Base-Backbone interact. energy: 0.524
local terms energy: -50.195285
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -103.048828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048828 (E_RNA)
where:
Base-Base interactions energy: -59.504
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.084
local terms energy: -43.460133
where:
bonds (distance) C4'-P energy: -5.568
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -241.793109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.793109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.793109 (E_RNA)
where:
Base-Base interactions energy: -162.322
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.021
local terms energy: -79.449483
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -239.706628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.706628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.706628 (E_RNA)
where:
Base-Base interactions energy: -154.840
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.000
local terms energy: -84.866506
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -237.375731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.375731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.375731 (E_RNA)
where:
Base-Base interactions energy: -158.265
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.016
local terms energy: -79.094239
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -225.648139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648139 (E_RNA)
where:
Base-Base interactions energy: -146.643
where: short stacking energy: -59.998
Base-Backbone interact. energy: -1.215
local terms energy: -77.789360
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -211.612190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612190 (E_RNA)
where:
Base-Base interactions energy: -142.784
where: short stacking energy: -56.905
Base-Backbone interact. energy: -0.730
local terms energy: -68.097847
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -13.798
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: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -223.643420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.643420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.643420 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.028
local terms energy: -70.912842
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -206.102230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.102230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102230 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.003
local terms energy: -65.129305
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -140.255550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.255550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.255550 (E_RNA)
where:
Base-Base interactions energy: -80.407
where: short stacking energy: -33.499
Base-Backbone interact. energy: 0.420
local terms energy: -60.268754
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -94.573122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.573122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.573122 (E_RNA)
where:
Base-Base interactions energy: -48.178
where: short stacking energy: -19.967
Base-Backbone interact. energy: -0.047
local terms energy: -46.347779
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -1.816
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: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -89.892236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892236 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.244
local terms energy: -59.518604
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -6.828
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: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -240.714655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.714655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.714655 (E_RNA)
where:
Base-Base interactions energy: -157.887
where: short stacking energy: -66.391
Base-Backbone interact. energy: -0.664
local terms energy: -82.163158
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.313
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: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -233.597513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597513 (E_RNA)
where:
Base-Base interactions energy: -164.017
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.423
local terms energy: -69.157192
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -17.975
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: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -224.233555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233555 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -65.870
Base-Backbone interact. energy: -0.113
local terms energy: -66.920375
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -17.405
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: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -219.531088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531088 (E_RNA)
where:
Base-Base interactions energy: -154.006
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.608
local terms energy: -64.917861
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.158
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -223.151390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.151390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.151390 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -68.905
Base-Backbone interact. energy: 0.153
local terms energy: -71.392726
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.348
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: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -218.558279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.558279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558279 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.172
local terms energy: -74.804873
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -210.560909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.560909 (E_RNA)
where:
Base-Base interactions energy: -140.635
where: short stacking energy: -56.694
Base-Backbone interact. energy: -0.517
local terms energy: -69.409294
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -140.248547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.248547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.248547 (E_RNA)
where:
Base-Base interactions energy: -79.647
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.192
local terms energy: -60.409627
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -95.404578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404578 (E_RNA)
where:
Base-Base interactions energy: -39.991
where: short stacking energy: -33.892
Base-Backbone interact. energy: 0.481
local terms energy: -55.893685
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -85.735383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735383 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -30.075
Base-Backbone interact. energy: -0.195
local terms energy: -44.109659
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -240.959020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.959020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.959020 (E_RNA)
where:
Base-Base interactions energy: -164.613
where: short stacking energy: -74.420
Base-Backbone interact. energy: -0.001
local terms energy: -76.345320
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -230.518243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.518243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.518243 (E_RNA)
where:
Base-Base interactions energy: -157.351
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.501
local terms energy: -72.666141
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -228.302977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.302977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302977 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.620
local terms energy: -74.462057
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -17.461
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: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -231.520970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.520970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.520970 (E_RNA)
where:
Base-Base interactions energy: -151.308
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.486
local terms energy: -79.726505
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -227.065966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.065966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.065966 (E_RNA)
where:
Base-Base interactions energy: -148.373
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.205
local terms energy: -78.487975
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -21.810
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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -214.199321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.199321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.199321 (E_RNA)
where:
Base-Base interactions energy: -147.756
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.036
local terms energy: -66.407058
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -16.483
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: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -208.048896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.048896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.048896 (E_RNA)
where:
Base-Base interactions energy: -137.920
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.019
local terms energy: -70.109948
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -9.208
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -152.550939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.550939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.550939 (E_RNA)
where:
Base-Base interactions energy: -90.614
where: short stacking energy: -35.364
Base-Backbone interact. energy: -1.283
local terms energy: -60.654325
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -8.625
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: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -85.023947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023947 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.273
local terms energy: -43.946531
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -78.491586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.491586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.491586 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.054
local terms energy: -41.974476
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -237.262035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.262035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.262035 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.012
local terms energy: -82.972282
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -233.709598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.709598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.709598 (E_RNA)
where:
Base-Base interactions energy: -164.004
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.632
local terms energy: -69.073168
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -16.803
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: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -227.181790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.181790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.181790 (E_RNA)
where:
Base-Base interactions energy: -158.984
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.039
local terms energy: -68.159268
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -19.001
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: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -225.857700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.857700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.857700 (E_RNA)
where:
Base-Base interactions energy: -152.570
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.002
local terms energy: -73.285609
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -225.576393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576393 (E_RNA)
where:
Base-Base interactions energy: -156.745
where: short stacking energy: -60.833
Base-Backbone interact. energy: -0.001
local terms energy: -68.829516
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -20.241
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: 495
Temperature: 1.150000
Total energy: -215.150242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150242 (E_RNA)
where:
Base-Base interactions energy: -144.315
where: short stacking energy: -65.616
Base-Backbone interact. energy: 1.173
local terms energy: -72.008637
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -21.009
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: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -165.220989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.220989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.220989 (E_RNA)
where:
Base-Base interactions energy: -105.703
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.195
local terms energy: -59.323583
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -10.392
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: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -149.226563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.226563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.226563 (E_RNA)
where:
Base-Base interactions energy: -98.868
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.078
local terms energy: -50.281199
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.830091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.830091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.830091 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -30.904
Base-Backbone interact. energy: -0.004
local terms energy: -59.922334
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -80.850187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850187 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.443
local terms energy: -48.877303
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -2.087
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)
out arg RESULTS//1/6-VP1-30fdef54_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -237.741838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.741838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.741838 (E_RNA)
where:
Base-Base interactions energy: -163.950
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.045
local terms energy: -73.747078
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.483
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: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -233.611593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.611593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.611593 (E_RNA)
where:
Base-Base interactions energy: -155.662
where: short stacking energy: -65.320
Base-Backbone interact. energy: -0.013
local terms energy: -77.936103
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -229.174532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.174532 (E_RNA)
where:
Base-Base interactions energy: -154.035
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.046
local terms energy: -75.094220
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -11.540
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -224.938866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938866 (E_RNA)
where:
Base-Base interactions energy: -150.642
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.184
local terms energy: -74.112718
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -18.244
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: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -216.454504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.454504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.454504 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.115
local terms energy: -71.250422
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -214.550873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.550873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.550873 (E_RNA)
where:
Base-Base interactions energy: -147.169
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.002
local terms energy: -67.380410
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -20.287
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: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -172.789232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.789232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.789232 (E_RNA)
where:
Base-Base interactions energy: -111.283
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.018
local terms energy: -61.488679
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -160.698867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.698867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.698867 (E_RNA)
where:
Base-Base interactions energy: -107.237
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.260
local terms energy: -53.202494
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.002
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: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -81.194402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194402 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -28.953
Base-Backbone interact. energy: 1.057
local terms energy: -41.832852
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -70.843163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.843163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.843163 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -25.735
Base-Backbone interact. energy: -0.174
local terms energy: -44.935072
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -1.030
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -233.096671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.096671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.096671 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.108
local terms energy: -76.421148
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -239.257375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.257375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.257375 (E_RNA)
where:
Base-Base interactions energy: -158.467
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.001
local terms energy: -80.789085
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -229.425009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.425009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.425009 (E_RNA)
where:
Base-Base interactions energy: -157.850
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.097
local terms energy: -71.477910
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -219.684680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684680 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.338
local terms energy: -73.174776
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -221.767897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.767897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.767897 (E_RNA)
where:
Base-Base interactions energy: -151.537
where: short stacking energy: -63.184
Base-Backbone interact. energy: -0.204
local terms energy: -70.026143
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -17.434
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: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -180.546123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546123 (E_RNA)
where:
Base-Base interactions energy: -115.478
where: short stacking energy: -49.423
Base-Backbone interact. energy: -0.150
local terms energy: -64.918604
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -206.799960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.799960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.799960 (E_RNA)
where:
Base-Base interactions energy: -130.373
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.045
local terms energy: -76.381945
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -160.444599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.444599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.444599 (E_RNA)
where:
Base-Base interactions energy: -107.616
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.330
local terms energy: -52.498650
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -5.786
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -86.458634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458634 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -33.798
Base-Backbone interact. energy: 0.238
local terms energy: -46.825174
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -5.190
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: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -76.525825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.525825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.525825 (E_RNA)
where:
Base-Base interactions energy: -26.867
where: short stacking energy: -23.411
Base-Backbone interact. energy: -1.185
local terms energy: -48.473738
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: 0.388
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE